Cuparene

Cuparene
Compound Structure:
Synonyms: 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene; Cuparene; (+)-Cuparene; (R)-Cuparene; (R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene; Cuparene, (+)-; (R)-(+)-p-(1,2,2-Trimethylcyclopentyl)toluene
Compound ID: NMPC-904
PubChem ID:

86895
Molecular Formula: C15H22
Canonical SMILES: CC1=CC=C(C=C1)C2(CCCC2(C)C)C
InChIKey: SLKPBCXNFNIJSV-HNNXBMFYSA-N
About the compound:

GHS Hazard Statements

• H302 (88.57%): Harmful if swallowed [Warning Acute toxicity, oral]

• H304 (11.43%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

202.33 g/mol

XLogP3-AA

5.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

202.172150702 g/mol

Monoisotopic Mass

202.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

220

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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
Pyrenacantha staudtii
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