Chemical ID: 6692960

CCOC(=O)CCC(C(=O)C)C(=O)OCC
Chemical ID:
6692960
Name [?]:
diethyl 4-acetylpentanedioate
SMILES [?]:
CCOC(=O)CCC(C(=O)C)C(=O)OCC
InChi [?]:
InChI=1/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,11,2,15,7,6,9,8,4,12,10,5,13,3,14/rA:16cCCOCOCCCCOCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s8;d12;s12;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18O5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.11342
Area:448.357
Solvation:-4.0955
Coulombic:-41.3364
Bond Count [?]
All:15
Single:12
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:230.258
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.14
LogP (Chemaxon):1.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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