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Chemical ID: 6692960
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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