Isolongifolen-9-one

Compound Structure:

Synonyms:

(1S,8R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one

Compound ID:

NMPC-1157

PubChem ID:

Molecular Formula:

C15H22O

Canonical SMILES:

CC1(CC(=O)C=C2C13CCC(C3)C2(C)C)C

InChIKey:

LGSKOQUJWNADCQ-MEBBXXQBSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	218.33 g/mol
XLogP3-AA	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	400
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:

Millettia thonningii

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