Identification

PhytoHub ID
PHUB001845
Name
8-hydroxygeraniol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
8-hydroxygeraniol
InChI Key
PREUOUJFXMCMSJ-TXFIJWAUSA-N
InChI Identifier
InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
SMILES
C\C(CO)=C/CC\C(C)=C\CO
Structure

Calculated Properties

Solubility (ALOGPS)
3.04e+00 g/l
LogS (ALOGPS)
-1.75
LogP (ALOGPS)
1.62
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
40.46
Refractivity
52.9568
Polarizability
20.61401132129557
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.0797068162582972
pKa (strongest acidic)
16.15821115210554
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Precursor Taxonomy

PrecursorFamilyClassSub-class
GeraniolTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
GeraniolGrapeFruit, Berries PublicationsShow
GeraniolGrape wineBeverages, Alcoholic PublicationsShow
GeraniolLicheeFruit, Tropical fruits PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Geraniol 8-hydroxygeraniolNot AvailableNot AvailableC10H18O2170.13067982
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