2-Pentanone, 4-cyclohexylidene-3,3-diethyl-

2-Pentanone, 4-cyclohexylidene-3,3-diethyl-
Compound Structure:
Synonyms: 2-Pentanone, 4-cyclohexylidene-3,3-diethyl-;4-Cyclohexylidene-3,3-diethyl-2-pentanone
Compound ID: NMPC-280
PubChem ID:

606202
Molecular Formula: C15H26O
Canonical SMILES: CCC(CC)(C(=C1CCCCC1)C)C(=O)C
InChIKey: PPJNNRNUEHDYSI-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

274

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Pentaclethra macrophylla
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