Identification

PhytoHub ID
PHUB000089
Name
Terpinene-gamma
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
α terpinene
InChI Key
YKFLAYDHMOASIY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
SMILES
CC(C)C1=CCC(C)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
5.35e-01 g/l
LogS (ALOGPS)
-2.41
LogP (ALOGPS)
4.36
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
47.5528
Polarizability
17.612227235291474
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
1
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

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Unsaturated hydrocarbons
Super-class
Hydrocarbons
Sub-class
Branched unsaturated hydrocarbons
Direct Parent Name
Branched unsaturated hydrocarbons
Alternative Parent Names
["Cyclic olefins", "Unsaturated aliphatic hydrocarbons"]
External Descriptor Annotations
["Cyclic monoterpenes", "Menthane monoterpenoids", "a monoterpenoid", "monoterpene"]
Substituent Names
["Aliphatic homomonocyclic compound", "Branched unsaturated hydrocarbon", "Cyclic olefin", "Olefin", "Unsaturated aliphatic hydrocarbon"]

Spectra

Record IDSourceDescriptionView
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007120MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007396MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007568MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

Metabolism

No metabolism information available

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