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Chemical ID: 6317928
Chemical ID:
6317928
Name [?]:
dimethyl dodecanedioate
SMILES [?]:
COC(=O)CCCCCCCCCCC(=O)OC
InChi [?]:
InChI=1/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,9,10,8,11,7,12,6,13,5,14,3,15,4,16,2,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCOCOCCCCCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.338 |
Area: | 537.321 |
Solvation: | -3.09504 |
Coulombic: | -37.0705 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 258.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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