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Molecule
(+)-Fenchol
CAS: 2217-02-9 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2217-02-9
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
2217-02-9
SMILES
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O
InChI Key
IAIHUHQCLTYTSF-OYNCUSHFSA-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/t7-,8-,10+/m0/s1
Names and Synonyms
- (+)-Fenchol Common Name
- Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)- Synonym
- Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R-endo)- Synonym
- (1R,2R,4S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol Synonym
- (+)-α-Fenchol Synonym
- α-Fenchol, (+)- Synonym
- D-Fenchol Synonym
- (+)-Fenchol Synonym
- α-(+)-Fenchol Synonym
- (+)-α-Fenchyl alcohol Synonym
- (1R-endo)-Fenchol Synonym
- (1R)-endo-(+)-Fenchyl alcohol Synonym
- (+)-Fenchyl alcohol Synonym
- D-Fenchyl alcohol Synonym
- (1R)-endo-(+)-Fenchol 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 | |
| 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/t7-,8-,10+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IAIHUHQCLTYTSF-OYNCUSHFSA-N | CAS Common Chemistry |
| Melting Point | 43.5 °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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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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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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MW = 154.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
