57523-94-1
3,5-DIMETHYL-4-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-2-EN-1-ONE
Name3,5-DIMETHYL-4-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-2-EN-1-ONE
1Identification
【Name】
3,5-DIMETHYL-4-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-2-EN-1-ONE
【CAS】
【MDL】
MFCD18974239
【English Synonyms】
【Formula】
C13 H20 O
【MolWeight】
192.3
【Inchi】
InChI=1S/C13H20O/c1-9(2)5-6-13-10(3)7-12(14)8-11(13)4/h5,7,11,13H,6,8H2,1-4H3
【InChIKey】
InChIKey=ZRDNXUZULKEEKI-UHFFFAOYSA-N
【SMILES】
CC1CC(=O)C=C(C1CC=C(C)C)C
【MOL File】
3,5-DIMETHYL-4-(3-ME….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
3,5-DIMETHYL-4-(3-METHYLBUT-2-EN-1-YL)CYCLOHEX-2-EN-1-ONE.cml