Iso-terpinolene

Compound Structure:

Synonyms:

3-methyl-6-propan-2-ylidenecyclohexene; Isoterpinolene; p-Mentha-2,4(8)-diene; 2,4(8)-p-Menthadiene; Cyclohexene, 3-methyl-6-(1-methylethylidene)-; p-2,4(8)-Menthadiene; para-Mentha-2,4(8)-diene; 3-Isopropylidene-6-methyl-cyclohexene

Compound ID:

NMPC-1166

PubChem ID:

102443

Molecular Formula:

C10H16

Canonical SMILES:

CC1CCC(=C(C)C)C=C1

InChIKey:

VZJHQHUOVIDRCF-BIGJJFBESA-N

About the compound:

Isoterpinolene is a p-menthadiene with double bonds at positions 2 and 4(8). It has a role as a human metabolite and a plant metabolite. It is a cycloalkene and a p-menthadiene

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	136.23 g/mol
XLogP3-AA	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	136.125200510 g/mol
Monoisotopic Mass	136.125200510 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Gossypium barbadense
Morinda lucida

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