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

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

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