α-calacorene

α-calacorene
Compound Structure:
Synonyms: alpha-Calacorene ;21391-99-1 ;(S)-1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene ;(1S)-4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene; (1S)-4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Compound ID: NMPC-1620
PubChem ID:

12302243
Molecular Formula: C15H20
Canonical SMILES: CC1=CCC(C2=C1C=CC(=C2)C)C(C)C
InChIKey: CUUMXRBKJIDIAY-ZDUSSCGKSA-N
About the compound:
Properties:

Computed 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

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: Senna podocarpa
Solanum nigrum
Hirsute Palisota
Cyperus articulatus
Pyrenacantha staudtii
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