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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 Weight:
154.25300000000001 g/mol
Names and Synonyms:
(+)-Fenchol
(1R)-endo-(+)-Fenchol
D-Fenchyl alcohol
(+)-Fenchyl alcohol
(1R)-endo-(+)-Fenchyl alcohol
(1R-endo)-Fenchol
(+)-α-Fenchyl alcohol
α-(+)-Fenchol
(+)-Fenchol
D-Fenchol
α-Fenchol, (+)-
(+)-α-Fenchol
(1R,2R,4S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R-endo)-
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.25300000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 20.23 Ų | RDKit |
| Physical Properties | LogP | 2.1935000000000007 | RDKit |
| molecular_mass | 154.25 g/mol | Legacy Database | |
| cas-canonical-smile | OC1C(C)(C)C2CCC1(C)C2 | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=IAIHUHQCLTYTSF-OYNCUSHFSA-N | Legacy Database | |
| cas-melting-point | 43.5 °C | Legacy Database | |
| cas-name | (+)-Fenchol | Legacy Database | |
| Molar | Molar Refractivity | 45.23580000000002 | RDKit |
