Identification

PhytoHub ID
PHUB001818
Name
Hildebrand's acids
Synonyms
Not Available
CAS Number
Not Available
Average Mass
198.218
Monoisotopic Mass
198.089208931
Chemical Formula
C10H14O4
IUPAC Name
(2E,6E)-2,6-dimethylocta-2,6-dienedioic acid
InChI Key
IUBQEOXMIZDLSO-ZCOYIIAOSA-N
InChI Identifier
InChI=1S/C10H14O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/b7-6+,8-5+
SMILES
C\C(CC\C=C(/C)C(O)=O)=C/C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
7.91e-01 g/l
LogS (ALOGPS)
-2.40
LogP (ALOGPS)
1.59
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
74.6
Refractivity
52.76670000000001
Polarizability
20.594778734153778
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.3024913806997
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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

PrecursorMetaboliteSpeciesBiofluids
Geraniol Hildebrand's acidsNot AvailableNot Available
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