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Chemical ID: 6680275
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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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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