Chemical ID: 6659664

CC(CCCC(=O)OC)C(=O)OC
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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