Isolongifolene

Compound Structure:

Synonyms:

(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene; Isolongifolene; (-)-Isolongifolene; iso-Longifolene; (+/-)-Isolongifolene; Isolongifolene, (-)-; Isolongifolene, (+/-)-; 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-

Compound ID:

NMPC-1158

PubChem ID:

11127402

Molecular Formula:

C15H24

Canonical SMILES:

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

InChIKey:

CQUAYTJDLQBXCQ-NHYWBVRUSA-N

About the compound:

GHS Hazard Statements

H304 (95.37%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	204.187800766 g/mol
Monoisotopic Mass	204.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	332
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Taxodium distichum

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