Chemical ID: 6529552

COC(=O)CCCCC(=O)OC
Chemical ID:
6529552
Name [?]:
dimethyl hexanedioate
SMILES [?]:
COC(=O)CCCCC(=O)OC
InChi [?]:
InChI=1/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,6,7,5,8,3,9,4,10,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCOCOCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.35574
Area:375.695
Solvation:-3.03662
Coulombic:-35.1888
Bond Count [?]
All:11
Single:9
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:174.194
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.65
LogP (Chemaxon):0.48

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Descriptor Annotations

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