Chemical ID: 6663398

COC(=O)CCCCCCCCCC(=O)OC
Chemical ID:
6663398
Name [?]:
dimethyl undecanedioate
SMILES [?]:
COC(=O)CCCCCCCCCC(=O)OC
InChi [?]:
InChI=1/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,9,8,10,7,11,6,12,5,13,3,14,4,15,2,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:17nCOCOCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H24O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.65954
Area:510.391
Solvation:-3.10025
Coulombic:-36.7531
Bond Count [?]
All:16
Single:14
Double:2
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:244.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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