Identification

PhytoHub ID
PHUB001847
Name
Limonene-1,2-glycol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.2487
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
limonene-1,2-diol
InChI Key
WKZWTZTZWGWEGE-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3
SMILES
CC(=C)C1CCC(C)(O)C(O)C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.46e+01 g/l
LogS (ALOGPS)
-1.07
LogP (ALOGPS)
1.11
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
40.46
Refractivity
48.7509
Polarizability
19.661475084010412
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.207704561297077
pKa (strongest acidic)
13.72647686245353
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Precursor Taxonomy

PrecursorFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Limonene Limonene-1,2-glycolNot AvailableNot AvailableC10H18O2170.13067982
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