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Chemical ID: 6663398
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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