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Molecule
Dicyclopropylmethanol
CAS: 14300-33-5 · C7H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14300-33-5
- Molecular Formula
- C7H12O
- Molecular Mass
- 112.17 g/mol
Identifiers
CAS Registry Number
14300-33-5
SMILES
OC(C1CC1)C1CC1
InChI Key
PIXLZMHERIHLJL-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2
Names and Synonyms
- Dicyclopropylmethanol Common Name
- Cyclopropanemethanol, α-cyclopropyl- Synonym
- Methanol, dicyclopropyl- Synonym
- α-Cyclopropylcyclopropanemethanol Synonym
- Dicyclopropylmethanol Synonym
- Dicyclopropyl carbinol Synonym
- Dicyclopropylmethyl alcohol Synonym
- Dicyclopropylmethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.17 g/mol | CAS Common Chemistry |
| 112.172 g/mol | RDKit | |
| Canonical SMILES | OC(C1CC1)C2CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PIXLZMHERIHLJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dicyclopropylmethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.1673 | RDKit |
| Molar Refractivity | 31.454799999999985 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 112.088815004 g/mol | RDKit |
| Boiling Point | 48 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 112.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12O.
