898779-99-2
CYCLOPENTYL 2-(3,4-DIMETHYLPHENYL)ETHYL KETONE
NameCYCLOPENTYL 2-(3,4-DIMETHYLPHENYL)ETHYL KETONE
1Identification
【Name】
CYCLOPENTYL 2-(3,4-DIMETHYLPHENYL)ETHYL KETONE
【CAS】
【MDL】
MFCD03843865
【English Synonyms】
【Formula】
C16 H22 O
【MolWeight】
230.349
【Inchi】
InChI=1S/C16H22O/c1-12-7-8-14(11-13(12)2)9-10-16(17)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3
【InChIKey】
InChIKey=GBEFSEYOBFGUCV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)CCC(=O)C2CCCC2
【MOL File】
CYCLOPENTYL 2-(3,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOPENTYL 2-(3,4-DIMETHYLPHENYL)ETHYL KETONE.cml