836628-77-4
CYCLOPENTANONE, 2-(2E)-2-BUTENYL-2-METHYL-5-(1-METHYLETHYL)-, (2S)-
Name
CYCLOPENTANONE, 2-(2E)-2-BUTENYL-2-METHYL-5-(1-METHYLETHYL)-, (2S)-
Formula
C13 H22 O
MolWeight
194.316
1Identification
【Name】
CYCLOPENTANONE, 2-(2E)-2-BUTENYL-2-METHYL-5-(1-METHYLETHYL)-, (2S)-
【CAS】
【MDL】
MFCD17017843
【English Synonyms】
【Formula】
C13 H22 O
【MolWeight】
194.316
【Inchi】
InChI=1S/C13H22O/c1-5-6-8-13(4)9-7-11(10(2)3)12(13)14/h5-6,10-11H,7-9H2,1-4H3/b6-5+/t11?,13-/m1/s1
【InChIKey】
InChIKey=JLQAPIHTUXUZRB-YKVUVKQXSA-N
【SMILES】
C/C=C/C[C@@]1(CCC(C1=O)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
CYCLOPENTANONE, 2-(2E)-2-BUTENYL-2-METHYL-5-(1-METHYLETHYL)-, (2S)-.cml
Quick Release
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