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(+)-Fenchol
CAS: 2217-02-9 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2217-02-9
Molecular Formula:
C10H18O
Molecular Mass:
154.25 g/mol
Names and Synonyms:
(+)-Fenchol
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R-endo)-
(1R,2R,4S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
(+)-α-Fenchol
α-Fenchol, (+)-
D-Fenchol
(+)-Fenchol
α-(+)-Fenchol
(+)-α-Fenchyl alcohol
(1R-endo)-Fenchol
(1R)-endo-(+)-Fenchyl alcohol
(+)-Fenchyl alcohol
D-Fenchyl alcohol
(1R)-endo-(+)-Fenchol
Identifiers:
SMILES:
CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O
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
Key Properties
Melting Point
43.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.25300000000001 g/mol | RDKit | |
| 154.135765196 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 |
| Molar Refractivity | 45.23580000000002 | RDKit |
