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Chemical ID: 6660109
Chemical ID:
6660109
Name [?]:
diethyl 2-(2-dimethylaminoethyl)propanedioate
SMILES [?]:
CCOC(=O)C(CCN(C)C)C(=O)OCC
InChi [?]:
InChI=1/C11H21NO4/c1-5-15-10(13)9(7-8-12(3)4)11(14)16-6-2/h9H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,10,11,2,15,7,8,6,4,12,9,5,13,3,14/E:(1,2)(3,4)(5,6)(10,11)(13,14)(15,16)/rA:16nCCOCOCCCNCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s9;s6;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00257 |
Area: | 441.503 |
Solvation: | -3.035 |
Coulombic: | -40.5684 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 231.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.19 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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