4726-45-8
8-ISOPROPYL-5-METHYL-4,4A,5,6,7,8-HEXAHYDRONAPHTHALEN-2(3H)-ONE
Name8-ISOPROPYL-5-METHYL-4,4A,5,6,7,8-HEXAHYDRONAPHTHALEN-2(3H)-ONE
1Identification
【Name】
8-ISOPROPYL-5-METHYL-4,4A,5,6,7,8-HEXAHYDRONAPHTHALEN-2(3H)-ONE
【CAS】
【MDL】
MFCD17010018
【English Synonyms】
【Formula】
C14 H22 O
【MolWeight】
206.327
【Inchi】
InChI=1S/C14H22O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-10,12-13H,4-7H2,1-3H3
【InChIKey】
InChIKey=AQNMVDGKNNYAEW-UHFFFAOYSA-N
【SMILES】
CC1CCC(C2=CC(=O)CCC12)C(C)C
【MOL File】
8-ISOPROPYL-5-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
8-ISOPROPYL-5-METHYL-4,4A,5,6,7,8-HEXAHYDRONAPHTHALEN-2(3H)-ONE.cml