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Molecule
Trans-Farnesol
CAS: 106-28-5 · C15H26O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-28-5
- Molecular Formula
- C15H26O
- Molecular Mass
- 222.37 g/mol
Identifiers
CAS Registry Number
106-28-5
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CO
InChI Key
CRDAMVZIKSXKFV-YFVJMOTDSA-N
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
Names and Synonyms
- Trans-Farnesol Synonym
- 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6E)- Synonym
- 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)- Synonym
- 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(farnesol) Synonym
- (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol Synonym
- trans-2,trans-6-Farnesol Synonym
- trans,trans-Farnesol Synonym
- 2,6-Di-trans-farnesol Synonym
- 2,6-trans,trans-Farnesol Synonym
- trans-Farnesol Synonym
- Inhibitor A2 Synonym
- 2-trans,6-trans-Farnesol Synonym
- 3,7,11-Trimethyldodeca-2-trans,6-trans,10-trien-1-ol Synonym
- (2E,6E)-Farnesol Synonym
- all-trans-Farnesol Synonym
- (t,t)-Farnesol Synonym
- (E,E)-Farnesol Synonym
- all-E-Farnesol Synonym
- (E)-β-Farnesol Synonym
- (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol Synonym
- (E,E)-Farnesyl alcohol Synonym
- trans-1-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatriene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.37 g/mol | CAS Common Chemistry |
| 222.37199999999996 g/mol | RDKit | |
| 222.372 g/mol | RDKit | |
| Canonical SMILES | OCC=C(C)CCC=C(C)CCC=C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ | CAS Common Chemistry |
| InChI Key | InChIKey=CRDAMVZIKSXKFV-YFVJMOTDSA-N | CAS Common Chemistry |
| Melting Point | 61-63 °C | CAS Common Chemistry |
| Name | trans-Farnesol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.397900000000004 | RDKit |
| 4.3979 | RDKit | |
| 4.74 | chempirical lib | |
| Molar Refractivity | 72.49880000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 222.198365452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 222.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H26O.
