Molecular Weight of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid (C10H18O2)
Identification of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid Chemical Compound
Chemical Formula | C10H18O2 |
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Molecular Weight | 170.24872 g/mol |
IUPAC Name | (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid |
SMILES String | CC1CCCC(C1)C(C)C(O)=O |
InChI | InChI=1S/C10H18O2/c1-7-4-3-5-9(6-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7-,8+,9-/m1/s1 |
InChIKey | BGPAVAOBLHLBRB-HRDYMLBCSA-N |
Molecular Weight Description
The (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid molecule consists of 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s) - a total of 30 atom(s). The molecular weight of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 170.24872 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid Molecule
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Structure Data File (SDF/MOL File) of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid
The structure data file (SDF/MOL File) of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is available for download in the SDF page of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid, which provides the information on atoms, bonds, connectivity and coordinates of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid. The (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid
The molecular structure image of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is available in chemical structure page of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid and the chemical bonds that hold the atoms together.
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Chemical formula of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid
The molecular formula of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is given in chemical formula page of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid
In addition to the molecular weight information, the structural information of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid in a textual expression is available via InChi. The full standard InChI of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is given below:
InChI=1S/C10H18O2/c1-7-4-3-5-9(6-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7-,8+,9-/m1/s1
It can provide a way to encode the molecular information of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid is:
InChIKey=BGPAVAOBLHLBRB-HRDYMLBCSA-N
It may allow easier web searches for (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid
There may be different names of the (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
(2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid? |
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C10H18O2 |
How many atoms and what are the elements in the (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid molecule? |
30 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid structure? |
30 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the molar mass of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid? |
170.24872 g/mol |
What’s the SMILES format of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid? |
CC1CCCC(C1)C(C)C(O)=O |
What’s the InChI format of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid? |
InChI=1S/C10H18O2/c1-7-4-3-5-9(6-7)8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t7-,8+,9-/m1/s1 |
What’s the InChIKey string of (2S)-2-[(1R,3R)-3-methylcyclohexyl]propanoic acid? |
BGPAVAOBLHLBRB-HRDYMLBCSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).