TPCN01329

Name 4,7-Dimethyl-l-tetralone
Molecular Formula C12H14O
Molecular Weight 174.24
CAS Registry Number 28449-86-7
SMILES Cc1ccc2c(c1)C(=O)CCC2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cyperaceae Cyperus rotundus Subterraneous stems 0.000706% Phytochemistry 40(1): 125-128.(1995) 10.1016/0031-9422(95)00260-e
Properties
HBA 1 HBD 0
HeavyAtoms 13 AlogP 3.08
TPSA 17.07 RotatableBonds 0
FractionCSP3 0.42 Rings 2
AromaticRings 1 AliphaticRings 1