Selina-1,3,7(11)-trien-8-one

Selina-1,3,7(11)-trien-8-one
Compound Structure:
Synonyms: DTXSID601125625; (4aR,8aS)-3,4,4a,8a-Tetrahydro-5,8a-dimethyl-3-(1-methylethylidene)-2(1H)-naphthalenone; (4aR,8aS)-5,8a-dimethyl-3-propan-2-ylidene-4,4a-dihydro-1H-naphthalen-2-one ;120216-95-7
Compound ID: NMPC-1476
PubChem ID:

11310474
Molecular Formula: C15H20O
Canonical SMILES: CC1=CC=CC2(C1CC(=C(C)C)C(=O)C2)C
InChIKey: DVGWOFUZNUYQPS-UKRRQHHQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

216.32 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

216.151415257 g/mol

Monoisotopic Mass

216.151415257 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

419

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: Eugenia uniflora
Murraya Koenigii
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