Nootkatin

2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one

Also Known As: Nootkatin|2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-|2-hydroxy-5-(3-methylbut-2-en-1-yl)-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one|2-hydroxy-4-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one|2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-(3- methyl-2-butenyl)-4-(1-methylethyl)-|2-HYDROXY-4-ISOPROPYL-5-(3-METHYLBUT-2-EN-1-YL)CYCLOHEPTA-2,4,6-TRIEN-1-ONE|2-HYDROXY-5-(3-METHYL-2-BUTENYL)-4-(1-METHYLETHYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE|2-hydroxy-5-(3-methylbut-2-en-1-yl)-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one|2-hydroxy-5-(3-methylbut-2-enyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one

Molecular Formula	C15H20O2
Molecular Weight	232.14633 g/mol
LogP	3.6
Topological Polar Surface Area	37.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	232.14633
Monoisotopic Mass	232.14633
Heavy Atoms	17
Complexity	428.0

Chemical Identifiers

CAS Number	4431-03-2
SMILES	CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O
InChIKey	MNMNTZYOZZLKSV-UHFFFAOYSA-N