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Molecule
Fenchol
CAS: 1632-73-1 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1632-73-1
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
1632-73-1
SMILES
CC12CCC(C1)C(C)(C)C2O
InChI Key
IAIHUHQCLTYTSF-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
Names and Synonyms
- Fenchol Common Name
- Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- Synonym
- 2-Norbornanol, 1,3,3-trimethyl- Synonym
- 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol Synonym
- 2-Fenchanol Synonym
- Fenchol Synonym
- Fenchyl alcohol Synonym
- 1,3,3-Trimethyl-2-norbornanol Synonym
- 2,2,4-Trimethylbicyclo[2.2.1]heptan-3-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.25300000000001 g/mol | RDKit | |
| 154.253 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenchol | CAS Common Chemistry |
| Boiling Point | 202-203 °C | CAS Common Chemistry |
| Canonical SMILES | OC1C(C)(C)C2CCC1(C)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IAIHUHQCLTYTSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Fenchol | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.1935000000000007 | RDKit |
| 2.1935 | RDKit | |
| Molar Refractivity | 45.23580000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
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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20
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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 = 154.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
