791620-48-9
1-BUTANONE, 1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
Name1-BUTANONE, 1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
1Identification
【Name】
1-BUTANONE, 1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-
【CAS】
【MDL】
MFCD18836233
【English Synonyms】
【Formula】
C13 H22 O
【MolWeight】
194.316
【Inchi】
InChI=1S/C13H22O/c1-5-6-12(14)13(4)8-7-11(9-13)10(2)3/h11H,2,5-9H2,1,3-4H3/t11-,13+/m0/s1
【InChIKey】
InChIKey=HKWCBISKUHRLAA-WCQYABFASA-N
【SMILES】
CCCC(=O)[C@@]1(CC[C@@H](C1)C(=C)C)C
【MOL File】
1-BUTANONE, 1-[(1R,3….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-BUTANONE, 1-[(1R,3S)-1-METHYL-3-(1-METHYLETHENYL)CYCLOPENTYL]-.cml