Chemical ID: 5244094

CCOC(CC#CC(=O)N(C)C)OCC
Chemical ID:
5244094
Name [?]:
5,5-diethoxy-N,N-dimethyl-pent-2-ynamide
SMILES [?]:
CCOC(CC#CC(=O)N(C)C)OCC
InChi [?]:
InChI=1/C11H19NO3/c1-5-14-11(15-6-2)9-7-8-10(13)12(3)4/h11H,5-6,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,11,12,2,14,6,7,5,8,4,10,9,3,13/E:(1,2)(3,4)(5,6)(14,15)/rA:15nCCOCCCCCONCCOCC/rB:s1;s2;s3;s4;s5;t6;s7;d8;s8;s10;s10;s4;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H19NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.57433
Area:429.105
Solvation:-3.15329
Coulombic:-36.0662
Bond Count [?]
All:14
Single:12
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.273
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):0.64

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Descriptor Annotations

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