Identification

PhytoHub ID
PHUB000051
Name
Limonene
Synonyms
  • Cajeputen
  • Cinene
  • Kautschin
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
limonene, (+)-
InChI Key
XMGQYMWWDOXHJM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES
CC(=C)C1CCC(C)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
4.57e-01 g/l
LogS (ALOGPS)
-2.47
LogP (ALOGPS)
4.50
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
46.4803
Polarizability
17.54813346687505
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
JP000247MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002318MassBankEI-B Spectrum - -, [M]+*View Spectra
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006892MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007559MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

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