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Cyclopropanemethanol
CAS: 2516-33-8 | C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2516-33-8
Molecular Formula:
C4H8O
Molecular Mass:
72.11 g/mol
Names and Synonyms:
Cyclopropanemethanol
Cyclopropanemethanol
Cyclopropylcarbinol
Cyclopropylmethanol
Cyclopropylcarbinyl alcohol
Cyclopropylmethyl alcohol
Cyclopropanemethyl alcohol
(Hydroxymethyl)cyclopropane
NSC 85925
Identifiers:
SMILES:
OCC1CC1
InChI:
InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
Key Properties
Boiling Point
123 °C
CAS Common Chemistry
Density
0.91 g/cm³
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 | 72.11 g/mol | CAS Common Chemistry |
| 72.10700000000001 g/mol | RDKit | |
| 72.057514876 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.911 g/cm3 @ Temp: 425 °C | CAS Common Chemistry | |
| Boiling Point | 123 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GUDMZGLFZNLYEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopropanemethanol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.3887 | RDKit |
| Molar Refractivity | 19.809799999999996 | RDKit |
