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Chemical ID: 6659664
Chemical ID:
6659664
Name [?]:
dimethyl 5-methylhexanedioate
SMILES [?]:
CC(CCCC(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,13,4,3,5,2,6,10,7,11,8,12/rA:13cCCCCCCOOCCOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s2;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.87292 |
Area: | 391.324 |
Solvation: | -2.91019 |
Coulombic: | -35.9223 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 188.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.94 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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