Linalool (8-hydroxydihydro-)
precursor
Showing entry for Linalool (8-hydroxydihydro-)
Identification
- PhytoHub ID
- PHUB000053
- Name
- Linalool (8-hydroxydihydro-)
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 172.268
- Monoisotopic Mass
- 172.146329884
- Chemical Formula
- C10H20O2
- IUPAC Name
- 2,6-dimethyloct-7-ene-1,6-diol
- InChI Key
- GFOMTORUAWAGGU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H20O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,9,11-12H,1,5-8H2,2-3H3
- SMILES
[H]OCC(C)CCCC(C)(O[H])C=C
- Structure
Structure for Linalool (8-hydroxydihydro-)
Calculated Properties
- Solubility (ALOGPS)
- 2.62e+00 g/l
- LogS (ALOGPS)
- -1.82
- LogP (ALOGPS)
- 1.98
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 6
- Polar Surface Area
- 40.46
- Refractivity
- 51.208299999999994
- Polarizability
- 20.818284553817396
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.1942132894570818
- pKa (strongest acidic)
- 17.418322395425836
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 57507828
- Chemistry Dashboard
- DTXSID90726964
- PeakForestCompound
- 000048
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available