Identification

PhytoHub ID
PHUB000023
Name
3,7-dimethylocta-1,5-dien-3,7-diol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
2,6-dimethylocta-3,7-diene-2,6-diol
InChI Key
QEOHJVNDENHRCH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3
SMILES
CC(C)(O)C=CCC(C)(O)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
2.32e+00 g/l
LogS (ALOGPS)
-1.87
LogP (ALOGPS)
1.62
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
4
Polar Surface Area
40.46
Refractivity
52.1553
Polarizability
19.818189072881324
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.1553935849547616
pKa (strongest acidic)
17.781254105926628
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP008388MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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