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Molecule
Cyclopropanemethanol
CAS: 2516-33-8 · C4H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2516-33-8
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
2516-33-8
SMILES
OCC1CC1
InChI Key
GUDMZGLFZNLYEY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
Names and Synonyms
- Cyclopropanemethanol Common Name
- Cyclopropanemethanol Synonym
- Cyclopropylcarbinol Synonym
- Cyclopropylmethanol Synonym
- Cyclopropylcarbinyl alcohol Synonym
- Cyclopropylmethyl alcohol Synonym
- Cyclopropanemethyl alcohol Synonym
- (Hydroxymethyl)cyclopropane Synonym
- NSC 85925 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.10700000000001 g/mol | RDKit | |
| 72.107 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.911 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
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 = 72.11 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
