SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Cyclobutanemethanol, 1-hydroxy- is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Cyclobutanemethanol, 1-hydroxy- molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
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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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Chemical structure of Cyclobutanemethanol, 1-hydroxy-
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Cyclobutanemethanol, 1-hydroxy-
The chemical 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-
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Cyclobutanemethanol, 1-hydroxy- including the registry numbers are listed 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 Cyclobutanemethanol, 1-hydroxy- formula? |
|---|
| C5H10O2 |
| How many atoms and what elements are included 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 kind 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 Cyclobutanemethanol, 1-hydroxy-’s molar mass? |
| 102.1317 g/mol |
| What’s the SMILES structure of Cyclobutanemethanol, 1-hydroxy-? |
| OCC1(O)CCC1 |
| What’s the InChI code of Cyclobutanemethanol, 1-hydroxy-? |
| InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2 |
| What’s the InChIKey format 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).