alpha.-Calacorene

alpha.-Calacorene
Compound Structure:
Synonyms: 3,4-Dihydrocadalene;(E)-Calacorene;.alpha.-Calacorene;4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene;alpha-corocalen;alpha-colocarene;|A-calacorene;7,8-dihydrocadalene;Cadina-1,3,5,9-tetraene
Compound ID: NMPC-544
PubChem ID:

528708
Molecular Formula: C15H20
Canonical SMILES: CC1=CCC(C2=C1C=CC(=C2)C)C(C)C
InChIKey: CUUMXRBKJIDIAY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

200.32 g/mol

XLogP3-AA

4.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

200.156500638 g/mol

Monoisotopic Mass

200.156500638 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

249

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: Cyperus articulatus
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