Chemical ID: 4584407

CCOC(=O)CC(C(=O)C)C(=O)OCC
Chemical ID:
4584407
Name [?]:
diethyl 3-acetylbutanedioate
SMILES [?]:
CCOC(=O)CC(C(=O)C)C(=O)OCC
InChi [?]:
InChI=1/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,10,2,14,6,8,7,4,11,9,5,12,3,13/rA:15cCCOCOCCCOCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s7;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.95128
Area:416.692
Solvation:-3.46601
Coulombic:-41.1818
Bond Count [?]
All:14
Single:11
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:216.231
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.79
LogP (Chemaxon):0.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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