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Molecule
Cyclobutanemethanol
CAS: 4415-82-1 · C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4415-82-1
- Molecular Formula
- C5H10O
- Molecular Mass
- 86.13 g/mol
Identifiers
CAS Registry Number
4415-82-1
SMILES
OCC1CCC1
InChI Key
WPOPOPFNZYPKAV-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2
Names and Synonyms
- Cyclobutanemethanol Synonym
- Cyclobutanemethanol Synonym
- Cyclobutylmethanol Synonym
- Cyclobutylmethyl alcohol Synonym
- Cyclobutylcarbinol Synonym
- (Hydroxymethyl)cyclobutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.13400000000001 g/mol | RDKit | |
| 86.134 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9129 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC1CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WPOPOPFNZYPKAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68.5 °C | CAS Common Chemistry |
| Name | Cyclobutanemethanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.7787999999999999 | RDKit |
| 0.7788 | RDKit | |
| Molar Refractivity | 24.42679999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 86.07316494 g/mol | RDKit |
| Boiling Point | 142-142.5 °C @ 750 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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Quick conversion
MW = 86.13 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O.
