Identification

PhytoHub ID
PHUB001846
Name
Limonene-1,2-epoxide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
limonene 1,2-epoxide
InChI Key
CCEFMUBVSUDRLG-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3
SMILES
CC(=C)C1CCC2(C)OC2C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.51e-01 g/l
LogS (ALOGPS)
-2.64
LogP (ALOGPS)
2.81
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
12.53
Refractivity
45.24080000000001
Polarizability
18.234446890826753
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.224524158920892
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Limonene Limonene-1,2-epoxideNot AvailableNot AvailableNot AvailableC10H16O152.120115135
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