Unisol
(1R,3Z,4S)-3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Molecular Identity
Unisol
(1R,3Z,4S)-3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID: 6436732
2D Structure
Properties
C17H20O
Molecular Formula
240.34
Molecular Weight
g/mol
240.1514
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
17.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
398
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CCC1(C(=O)C2=CC3=CC=CC=C3)C)CIsomeric SMILES
SMILES: C[C@@]12CC[C@@H](C1(C)C)/C(=C/C3=CC=CC=C3)/C2=OSynonyms(7)
UnisolRefChem:1100653Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (1R,4S)-Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-, (1R,4S)-EINECS 252-856-1SCHEMBL29369198(+)-1,7,7-Trimethyl-3-(phenylmethylene)bicyclo(2.2.1)heptan-2-one
Data from PubChem (NCBI)
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