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Chemical ID: 4734628
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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