Isolongifolene, 9,10-dehydro-

Compound Structure:

Synonyms:

2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene; Isolongifolene, 9,10-dehydro-; 1,3,4,5-Tetrahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene.

Compound ID:

NMPC-1159

PubChem ID:

583109

Molecular Formula:

C15H22

Canonical SMILES:

CC1(C=CC=C2C13CCC(C3)C2(C)C)C

InChIKey:

UIPKEVNEOFKIRG-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	202.33 g/mol
XLogP3-AA	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	202.172150702 g/mol
Monoisotopic Mass	202.172150702 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Cyperus articulatus

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