53398-15-5
2,2,4-TRIMETHYL-3-(1-OXOBUTYL)-1-CYCLOHEXANONE
Name2,2,4-TRIMETHYL-3-(1-OXOBUTYL)-1-CYCLOHEXANONE
1Identification
【Name】
2,2,4-TRIMETHYL-3-(1-OXOBUTYL)-1-CYCLOHEXANONE
【CAS】
【MDL】
MFCD18970587
【English Synonyms】
【Formula】
C13 H22 O2
【MolWeight】
210.315
【Inchi】
InChI=1S/C13H22O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h9,12H,5-8H2,1-4H3
【InChIKey】
InChIKey=KWKYATZRTCMSLQ-UHFFFAOYSA-N
【SMILES】
CCCC(=O)C1C(CCC(=O)C1(C)C)C
【MOL File】
2,2,4-TRIMETHYL-3-(1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2,4-TRIMETHYL-3-(1-OXOBUTYL)-1-CYCLOHEXANONE.cml