54889-00-8
4-(2,2-DIMETHYLPROPYL)-4-METHYL-CYCLOHEXANONE
Name4-(2,2-DIMETHYLPROPYL)-4-METHYL-CYCLOHEXANONE
1Identification
【Name】
4-(2,2-DIMETHYLPROPYL)-4-METHYL-CYCLOHEXANONE
【CAS】
【MDL】
MFCD17013923
【English Synonyms】
【Formula】
C12 H22 O
【MolWeight】
182.305
【Inchi】
InChI=1S/C12H22O/c1-11(2,3)9-12(4)7-5-10(13)6-8-12/h5-9H2,1-4H3
【InChIKey】
InChIKey=COLFAFZRPGIPCA-UHFFFAOYSA-N
【SMILES】
CC1(CCC(=O)CC1)CC(C)(C)C
【MOL File】
4-(2,2-DIMETHYLPROPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,2-DIMETHYLPROPYL)-4-METHYL-CYCLOHEXANONE.cml