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Chemical ID: 5244094
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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