Chemical ID: 6680656

CCOC(=O)C(C)C(=O)OCC
Chemical ID:
6680656
Name [?]:
diethyl 2-methylpropanedioate
SMILES [?]:
CCOC(=O)C(C)C(=O)OCC
InChi [?]:
InChI=1/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,7,2,11,6,4,8,5,9,3,10/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:12nCCOCOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s6;d8;s8;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.17018
Area:362.998
Solvation:-2.90477
Coulombic:-35.4121
Bond Count [?]
All:11
Single:9
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:174.194
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.4
LogP (Chemaxon):1.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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