Acorenone

Acorenone
Compound Structure:
Synonyms: Acorenone;(-)-Acorenone;5956-05-8;(-)-4-Acoren-3-one;CHEBI:68151;Spiro(4.5)dec-8-en-7-one, 1-isopropyl-4,8-dimethyl-, (-)-;(1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one;1,8-Dimethyl-4-(1-methylethyl)spiro(4.5)dec-8-en-7-one (1S-(1alpha,4al
Compound ID: NMPC-553
PubChem ID:

12480741
Molecular Formula: C15H24O
Canonical SMILES: CC1CCC(C12CC=C(C(=O)C2)C)C(C)C
InChIKey: HBTHUBMUAHAWBC-YDHLFZDLSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

4.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

326

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

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: Pyrenacantha staudtii
Tecoma stans
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