Identification

PhytoHub ID
PHUB000068
Name
Myrcenol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
myrcenol
InChI Key
IEVYLQISZQFFGA-YFHOEESVSA-N
InChI Identifier
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7-
SMILES
C\C(CO)=C\CCC(=C)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
5.96e-01 g/l
LogS (ALOGPS)
-2.41
LogP (ALOGPS)
2.69
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
50.1537
Polarizability
18.54113863973876
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.079706837139099
pKa (strongest acidic)
16.64401729049131
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000133MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005732MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006591MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006607MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006682MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow

Metabolism

No metabolism information available

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