58422-84-7
2,6-DIMETHYL-2-(3-OXOBUTYL)-5-HEPTENENITRILE
Name2,6-DIMETHYL-2-(3-OXOBUTYL)-5-HEPTENENITRILE
1Identification
【Name】
2,6-DIMETHYL-2-(3-OXOBUTYL)-5-HEPTENENITRILE
【CAS】
【MDL】
MFCD18974542
【English Synonyms】
【Formula】
C13 H21 N O
【MolWeight】
207.315
【Inchi】
InChI=1S/C13H21NO/c1-11(2)6-5-8-13(4,10-14)9-7-12(3)15/h6H,5,7-9H2,1-4H3
【InChIKey】
InChIKey=MJMLRMKJSWXINF-UHFFFAOYSA-N
【SMILES】
CC(=CCCC(C)(CCC(=O)C)C#N)C
【MOL File】
2,6-DIMETHYL-2-(3-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIMETHYL-2-(3-OXOBUTYL)-5-HEPTENENITRILE.cml