Identification

PhytoHub ID
PHUB000071
Name
Ocimene-beta
Synonyms
  • Allocimene
  • Ocimene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
ocimene
InChI Key
XJPBRODHZKDRCB-CSKARUKUSA-N
InChI Identifier
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
SMILES
CC(=C)CC\C=C(/C)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
7.71e-02 g/l
LogS (ALOGPS)
-3.25
LogP (ALOGPS)
4.25
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
4
Polar Surface Area
0.0
Refractivity
48.379000000000005
Polarizability
17.81341252852687
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Metabolism

No metabolism information available

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