Chemical ID: 6680275

C=CCOC(=O)CCC(=O)OCC=C
Chemical ID:
6680275
Name [?]:
diallyl butanedioate
SMILES [?]:
C=CCOC(=O)CCC(=O)OCC=C
InChi [?]:
InChI=1/C10H14O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,5-8H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,7,8,3,12,5,9,6,10,4,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCOCOCCCOOCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.97382
Area:422.219
Solvation:-2.58166
Coulombic:-38.4124
Bond Count [?]
All:13
Single:9
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:198.216
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.16
LogP (Chemaxon):1.17

Name Annotations

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Descriptor Annotations

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