Identification

PhytoHub ID
PHUB000553
Name
5-Heptadecenylresorcinol
Systematic Name
Synonyms
Not Available
CAS Number
Not Available
Average Mass
346.555
Monoisotopic Mass
346.287180464
Chemical Formula
C23H38O2
IUPAC Name
5-[(8Z)-heptadec-8-en-1-yl]benzene-1,3-diol
InChI Key
DQSWQRFGZIJUCI-KTKRTIGZSA-N
InChI Identifier
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9-
SMILES
CCCCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.64e-04 g/l
LogS (ALOGPS)
-6.33
LogP (ALOGPS)
8.75
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
15
Polar Surface Area
40.46
Refractivity
109.79359999999998
Polarizability
44.953229763109974
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.665057916048886
pKa (strongest acidic)
9.359032641616453

Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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