Chemical ID: 7091148

CC(C)C(=C(C#N)C(=O)OC)C
Chemical ID:
7091148
Name [?]:
methyl 2-cyano-3,4-dimethyl-pent-2-enoate
SMILES [?]:
CC(C)C(=C(C#N)C(=O)OC)C
InChi [?]:
InChI=1/C9H13NO2/c1-6(2)7(3)8(5-10)9(11)12-4/h6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,6,2,4,5,8,7,9,10/E:(1,2)/rA:12nCCCCCCNCOOCC/rB:s1;s2;s2;w4;s5;t6;s5;d8;s8;s10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO2
All Atoms:25
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.35144
Area:357.854
Solvation:-1.59491
Coulombic:-23.6904
Bond Count [?]
All:11
Single:8
Double:2
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:167.205
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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