Identification

PhytoHub ID
PHUB000993
Name
Limonene-10-ol
Systematic Name
Not Available
Synonyms
  • 2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
2-(4-methylcyclohex-3-en-1-yl)prop-2-en-1-ol
InChI Key
UIMAEYMKYMNCGW-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3
SMILES
CC1=CCC(CC1)C(=C)CO
Structure

Calculated Properties

Solubility (ALOGPS)
1.87e+00 g/l
LogS (ALOGPS)
-1.91
LogP (ALOGPS)
2.55
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
48.254999999999995
Polarizability
18.455918147747614
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.9453382081886437
pKa (strongest acidic)
16.95121580203785
Number of Rings
1
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-10-oldog human rabbit raturineNot AvailableC10H16O152.120115135 Publications
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