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Molecule
Cyclopentaneethanol
CAS: 766-00-7 · C7H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 766-00-7
- Molecular Formula
- C7H14O
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
766-00-7
SMILES
OCCC1CCCC1
InChI Key
JEXQWCBPEWHFKC-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
Names and Synonyms
- Cyclopentaneethanol Synonym
- Cyclopentaneethanol Synonym
- 2-Cyclopentylethanol Synonym
- 2-Cyclopentylethyl alcohol Synonym
- 2-Cyclopentaneethanol Synonym
- 2-Cyclopentylethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.18800000000002 g/mol | RDKit | |
| 114.188 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9189 g/cm3 @ 22.3 °C | CAS Common Chemistry | |
| Boiling Point | 183 °C | CAS Common Chemistry |
| Canonical SMILES | OCCC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JEXQWCBPEWHFKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentaneethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.559 | RDKit |
| Molar Refractivity | 33.66079999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 114.19 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14O.
