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Chemical ID: 3969638
Chemical ID:
3969638
Name [?]:
diethyl hexanedioate
SMILES [?]:
CCOC(=O)CCCCC(=O)OCC
InChi [?]:
InChI=1/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,13,7,8,6,9,4,10,5,11,3,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCOCOCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94484 |
Area: | 430.76 |
Solvation: | -2.82416 |
Coulombic: | -35.8133 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.248 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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