844697-54-7
CYCLOPENTANONE, 2-(3-BUTENYL)-2-METHYL-3-(1-METHYLETHYL)-, (2R,3R)-
NameCYCLOPENTANONE, 2-(3-BUTENYL)-2-METHYL-3-(1-METHYLETHYL)-, (2R,3R)-
1Identification
【Name】
CYCLOPENTANONE, 2-(3-BUTENYL)-2-METHYL-3-(1-METHYLETHYL)-, (2R,3R)-
【CAS】
【MDL】
MFCD17017867
【EnglishSynonyms】
【pro_formula】
C13 H22 O
【pro_molWeight】
194.316
【Inchi】
InChI=1S/C13H22O/c1-5-6-9-13(4)11(10(2)3)7-8-12(13)14/h5,10-11H,1,6-9H2,2-4H3/t11-,13-/m1/s1
【InChIKey】
InChIKey=DAKCCNNGKGFRLC-DGCLKSJQSA-N
【SMILES】
CC(C)[C@H]1CCC(=O)[C@]1(C)CCC=C
【MOL File】
CYCLOPENTANONE, 2-(3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:1
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CYCLOPENTANONE, 2-(3-BUTENYL)-2-METHYL-3-(1-METHYLETHYL)-, (2R,3R)-.cml