Diisophorone

1-hydroxy-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one

Also Known As: Diisophorone|Isophorone dimer|Oprea1_043114|AE-484/30082001|1-hydroxy-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one|2,3,5,6,7,8,9,10-Octahydro-5-hydroxy-2,2,7,7,9-pentamethyl-5,9-methanobenzocycloocten-4(1H)-one|5,9-Methanobenzocycloocten-4(1H)-one, 2,3,5,6,7,8,9,10-octahydro-5-hydroxy-2,2,7,7,9-pentamethyl-|1-hydroxy-5,5,9,11,11-pentamethyltricyclo[7.3.1.0~2,7~]tridec-2(7)-en-3-one

Molecular Formula	C18H28O2
Molecular Weight	276.20892 g/mol
LogP	3.2
Topological Polar Surface Area	37.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	276.20892
Monoisotopic Mass	276.20892
Heavy Atoms	20
Complexity	512.0

Chemical Identifiers

CAS Number	6244-16-2
SMILES	CC1(CC2=C(C(=O)C1)C3(CC(CC(C2)(C3)C)(C)C)O)C
InChIKey	IJDSUFQMYUARCQ-UHFFFAOYSA-N