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-UHFFFAOYNA-N
InChI Identifier
InChI=1/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

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

Taxonomy as Precursor

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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