Linalool
precursor
Showing entry for Linalool
Identification
- PhytoHub ID
- PHUB000052
- Name
- Linalool
- Systematic Name
- Not Available
- Synonyms
- Linalol
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- 3,7-dimethylocta-1,6-dien-3-ol
- InChI Key
- CDOSHBSSFJOMGT-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
- SMILES
CC(C)=CCCC(C)(O)C=C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.76e-01 g/l
- LogS (ALOGPS)
- -2.51
- LogP (ALOGPS)
- 2.68
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 20.23
- Refractivity
- 50.206599999999995
- Polarizability
- 19.313446218331986
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.2856635235681075
- pKa (strongest acidic)
- 18.459388377759243
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 17580
- PubChem
- 6549
- Chemistry Dashboard
- DTXSID7025502
- MetaboLights
- MTBLC17580
- FooDB (Compounds)
- FDB014940
- PeakForestCompound
- 000047
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Phytohub
Food Sources
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