Identification

PhytoHub ID
PHUB001848
Name
Limonene-8,9-epoxide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-methyl-2-(4-methylcyclohex-3-en-1-yl)oxirane
InChI Key
PJGRMBOWSWHGDV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3
SMILES
CC1=CCC(CC1)C1(C)CO1
Structure

Calculated Properties

Solubility (ALOGPS)
3.66e-01 g/l
LogS (ALOGPS)
-2.62
LogP (ALOGPS)
2.62
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
12.53
Refractivity
46.4955
Polarizability
18.324624761845584
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.202588274651706
pKa (strongest acidic)
Not Available
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Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene Limonene-8,9-epoxideNot AvailableNot AvailableC10H16O152.120115135
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