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Cyclopentanol
CAS: 96-41-3 | C5H10O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
96-41-3
Molecular Formula:
C5H10O
Molecular Weight:
86.134 g/mol
Names and Synonyms:
Cyclopentanol
Common Name
Cyclopentyl alcohol
Synonym
Hydroxycyclopentane
Synonym
NSC 49117
Synonym
1-Cyclopentanol
Synonym
Cyclopentanol
Synonym
Identifiers:
SMILES:
OC1CCCC1
InChI:
InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.134 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9213 | RDKit |
| molecular_mass | 86.13 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyclopentanol None | Legacy Database |
| cas-boiling-point | 140.4 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OC1CCCC1 None | Legacy Database |
| cas-density | 0.9478 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XCIXKGXIYUWCLL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -19 °C None | Legacy Database |
| cas-name | Cyclopentanol None | Legacy Database |
| wikipedia-name | Cyclopentanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.474799999999988 | RDKit |