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3-Cyclopenten-1-Ol
CAS: 14320-38-8 | C5H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14320-38-8
Molecular Formula:
C5H8O
Molecular Mass:
84.12 g/mol
Names and Synonyms:
3-Cyclopenten-1-Ol
3-Cyclopenten-1-ol
1-Cyclopenten-4-ol
4-Cyclopentenol
Cyclopent-3-enyl alcohol
4-Hydroxycyclopentene
NSC 134283
Identifiers:
SMILES:
OC1CC=CC1
InChI:
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2
Key Properties
Boiling Point
67-68 °C @ Press: 36 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| 84.057514876 g/mol | RDKit | |
| Boiling Point | 67-68 °C @ Press: 36 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2 | 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 | RDKit |
