Formula of Cyclobutanemethanol, 1-hydroxy- (C5H10O2)
Identification of Cyclobutanemethanol, 1-hydroxy- Chemical Compound
| Chemical Formula | C5H10O2 |
|---|---|
| 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 |
Chemical Formula Description
The Cyclobutanemethanol, 1-hydroxy- molecule contains a total of 17 atom(s). There are 10 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of Cyclobutanemethanol, 1-hydroxy- can therefore be written as:
C5H10O2
The chemical formula of Cyclobutanemethanol, 1-hydroxy- shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
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- 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- providing the information about the atoms, bonds, connectivity and coordinates of Cyclobutanemethanol, 1-hydroxy-, which is not completely available in the chemical formula representation. The Cyclobutanemethanol, 1-hydroxy- structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Cyclobutanemethanol, 1-hydroxy-
The chemical structure image of Cyclobutanemethanol, 1-hydroxy- is available in chemical structure page of Cyclobutanemethanol, 1-hydroxy-, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Cyclobutanemethanol, 1-hydroxy- and the chemical bonds that hold the atoms together.
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Molecular weight of Cyclobutanemethanol, 1-hydroxy-
The molecular weight of Cyclobutanemethanol, 1-hydroxy- is available in molecular weight page of Cyclobutanemethanol, 1-hydroxy-, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Cyclobutanemethanol, 1-hydroxy-.
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InChI (IUPAC International Chemical Identifier) information of Cyclobutanemethanol, 1-hydroxy-
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Cyclobutanemethanol, 1-hydroxy- is:
InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2
It can provide a standard 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
The InChIKey may allow easier web searches for Cyclobutanemethanol, 1-hydroxy-, but it needs to be linked to the full InChI to get back to the original structure of the Cyclobutanemethanol, 1-hydroxy- since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cyclobutanemethanol, 1-hydroxy-
The Cyclobutanemethanol, 1-hydroxy- compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Cyclobutanemethanol, 1-hydroxy- including the registry numbers is given below, 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 chemical formula of Cyclobutanemethanol, 1-hydroxy-? |
|---|
| C5H10O2 |
| How many atoms and what are they in the Cyclobutanemethanol, 1-hydroxy- structure? |
| 17 atom(s) - 10 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they 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 molecular weight of Cyclobutanemethanol, 1-hydroxy-? |
| 102.1317 g/mol |
| What’s the SMILES string of Cyclobutanemethanol, 1-hydroxy-? |
| OCC1(O)CCC1 |
| What’s the InChI of Cyclobutanemethanol, 1-hydroxy-? |
| InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2 |
| What’s the InChIKey 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).