Chemical ID: 3969638

CCOC(=O)CCCCC(=O)OCC
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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