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Fenchol
CAS: 1632-73-1 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1632-73-1
Molecular Formula:
C10H18O
Molecular Mass:
154.25 g/mol
Names and Synonyms:
Fenchol
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-
2-Norbornanol, 1,3,3-trimethyl-
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
2-Fenchanol
Fenchol
Fenchyl alcohol
1,3,3-Trimethyl-2-norbornanol
2,2,4-Trimethylbicyclo[2.2.1]heptan-3-ol
Identifiers:
SMILES:
CC12CCC(C1)C(C)(C)C2O
InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
Key Properties
Boiling Point
202-203 °C
CAS Common Chemistry
Melting Point
45 °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 | |
| 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 |
| Molar Refractivity | 45.23580000000002 | RDKit |
