791620-49-0
(2E)-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHYL)CYCLOPENTYL]-2-BUTEN-1-ONE
Name
(2E)-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHYL)CYCLOPENTYL]-2-BUTEN-1-ONE
Formula
C13 H22 O
MolWeight
194.316
1Identification
【Name】
(2E)-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHYL)CYCLOPENTYL]-2-BUTEN-1-ONE
【CAS】
【MDL】
MFCD18832997
【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/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t11-,13+/m0/s1
【InChIKey】
InChIKey=ZECUKDCVDVHCMK-LRLQIDNFSA-N
【SMILES】
C/C=C/C(=O)[C@@]1(CC[C@@H](C1)C(C)C)C
【MOL File】
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
(2E)-1-[(1R,3S)-1-METHYL-3-(1-METHYLETHYL)CYCLOPENTYL]-2-BUTEN-1-ONE.cml
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