Chemical ID: 6529551

COC(=O)CCCC(=O)OC
Chemical ID:
6529551
Name [?]:
dimethyl pentanedioate
SMILES [?]:
COC(=O)CCCC(=O)OC
InChi [?]:
InChI=1/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,6,5,7,3,8,4,9,2,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:11nCOCOCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.44371
Area:347.319
Solvation:-3.23926
Coulombic:-34.4683
Bond Count [?]
All:10
Single:8
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.168
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.29
LogP (Chemaxon):0.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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