791620-50-3
1-PROPANONE, 2-METHYL-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
Name1-PROPANONE, 2-METHYL-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
1Identification
【Name】
1-PROPANONE, 2-METHYL-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
【CAS】
【MDL】
MFCD18832996
【English Synonyms】
【Formula】
C13 H22 O
【MolWeight】
194.316
【Inchi】
InChI=1S/C13H22O/c1-9(2)11-6-7-13(5,8-11)12(14)10(3)4/h10-11H,1,6-8H2,2-5H3/t11-,13+/m0/s1
【InChIKey】
InChIKey=LTYJGRVJQCMHMB-WCQYABFASA-N
【SMILES】
CC(C)C(=O)[C@@]1(CC[C@@H](C1)C(=C)C)C
【MOL File】
1-PROPANONE, 2-METHY….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
1-PROPANONE, 2-METHYL-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-.cml