Molecular Weight of Cyclobutanemethanol, 1-hydroxy- (C5H10O2)
Identification of Cyclobutanemethanol, 1-hydroxy- Chemical Compound
Chemical Formula | C5H10O2 |
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Molecular Weight | 102.1317 g/mol |
IUPAC Name | 1-(hydroxymethyl)cyclobutan-1-ol |
SMILES String | OCC1(O)CCC1 |
InChI | InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2 |
InChIKey | KTVGYAJQQQUOQX-UHFFFAOYSA-N |
Molecular Weight Description
The Cyclobutanemethanol, 1-hydroxy- molecule consists of 10 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s) - a total of 17 atom(s). The molecular weight of Cyclobutanemethanol, 1-hydroxy- is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 102.1317 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Cyclobutanemethanol, 1-hydroxy- Molecule
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Structure Data File (SDF/MOL File) of Cyclobutanemethanol, 1-hydroxy-
The structure data file (SDF/MOL File) of Cyclobutanemethanol, 1-hydroxy- is available for download in the SDF page of Cyclobutanemethanol, 1-hydroxy-, which provides the information on atoms, bonds, connectivity and coordinates of Cyclobutanemethanol, 1-hydroxy-. The Cyclobutanemethanol, 1-hydroxy- 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 Cyclobutanemethanol, 1-hydroxy-
The molecular structure image of Cyclobutanemethanol, 1-hydroxy- is available in chemical structure page of Cyclobutanemethanol, 1-hydroxy-, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Cyclobutanemethanol, 1-hydroxy- and the chemical bonds that hold the atoms together.
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Chemical formula of Cyclobutanemethanol, 1-hydroxy-
The molecular formula of Cyclobutanemethanol, 1-hydroxy- is given in chemical formula page of Cyclobutanemethanol, 1-hydroxy-, 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 Cyclobutanemethanol, 1-hydroxy-
In addition to the molecular weight information, the structural information of Cyclobutanemethanol, 1-hydroxy- in a textual expression is available via InChi. The full standard InChI of Cyclobutanemethanol, 1-hydroxy- is given below:
InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2
It can provide a way to encode the molecular information of Cyclobutanemethanol, 1-hydroxy- 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 Cyclobutanemethanol, 1-hydroxy- is:
InChIKey=KTVGYAJQQQUOQX-UHFFFAOYSA-N
It may allow easier web searches for Cyclobutanemethanol, 1-hydroxy-. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Cyclobutanemethanol, 1-hydroxy- as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cyclobutanemethanol, 1-hydroxy-
There may be different names of the Cyclobutanemethanol, 1-hydroxy- compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- EN300-183332
- BBV-46552979
- AR-1I2844
- Z1913645825
- 1-HYDROXYMETHYLCYCLOBUTANOL
- 6970-72-5
- Cyclobutanemethanol, 1-hydroxy-
Cyclobutanemethanol, 1-hydroxy- Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Cyclobutanemethanol, 1-hydroxy-? |
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C5H10O2 |
How many atoms and what are the elements in the Cyclobutanemethanol, 1-hydroxy- molecule? |
17 atom(s) - 10 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Cyclobutanemethanol, 1-hydroxy- structure? |
17 bond(s) - 7 non-H bond(s), 1 rotatable bond(s), 1 four-membered ring(s), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 tertiary alcohol(s) |
What’s the molar mass of Cyclobutanemethanol, 1-hydroxy-? |
102.1317 g/mol |
What’s the SMILES format of Cyclobutanemethanol, 1-hydroxy-? |
OCC1(O)CCC1 |
What’s the InChI format of Cyclobutanemethanol, 1-hydroxy-? |
InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2 |
What’s the InChIKey string of Cyclobutanemethanol, 1-hydroxy-? |
KTVGYAJQQQUOQX-UHFFFAOYSA-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).