Chemical ID: 4734628

CCOC(=O)C(CC=C)(CC=C)C(=O)OCC
Chemical ID:
4734628
Name [?]:
diethyl 2,2-diallylpropanedioate
SMILES [?]:
CCOC(=O)C(CC=C)(CC=C)C(=O)OCC
InChi [?]:
InChI=1/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3
InChi Info:
AuxInfo=1/0/N:9,12,1,17,8,11,2,16,7,10,4,13,6,5,14,3,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:17nCCOCOCCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s6;s10;d11;s6;d13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.46494
Area:446.563
Solvation:-2.69914
Coulombic:-40.3452
Bond Count [?]
All:16
Single:12
Double:4
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:240.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.66
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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