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Molecule
3-Cyclopenten-1-Ol
CAS: 14320-38-8 · C5H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14320-38-8
- Molecular Formula
- C5H8O
- Molecular Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
14320-38-8
SMILES
OC1CC=CC1
InChI Key
WEIMJSIRDZDHAH-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2
Names and Synonyms
- 3-Cyclopenten-1-Ol Systematic Name
- 3-Cyclopenten-1-ol Synonym
- 1-Cyclopenten-4-ol Synonym
- 4-Cyclopentenol Synonym
- Cyclopent-3-enyl alcohol Synonym
- 4-Hydroxycyclopentene Synonym
- NSC 134283 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI | InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2 | CAS Common Chemistry |
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| Canonical SMILES | OC1CC=CC1 | CAS Common Chemistry |
| InChI Key | InChIKey=WEIMJSIRDZDHAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Cyclopenten-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.6973 | RDKit |
| Molar Refractivity | 24.38079999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 84.057514876 g/mol | RDKit |
| Boiling Point | 67-68 °C @ 36 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 84.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O.
