pinocamphone

Compound Structure:

Synonyms:

Pinocamphone; 547-60-4 ;(-)-Pinocamphone ;trans-3-Pinanone ;(1S,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

Compound ID:

NMPC-1414

PubChem ID:

Molecular Formula:

C10H16O

Canonical SMILES:

CC1C2CC(C2(C)C)CC1=O

InChIKey:

MQPHVIPKLRXGDJ-PRJMDXOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	152.23 g/mol
XLogP3-AA	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	152.120115130 g/mol
Monoisotopic Mass	152.120115130 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	205
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:

Tagetes erecta

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