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Chemical ID: 6682944
Chemical ID:
6682944
Name [?]:
[1-methyl-2-[1-methyl-2-(1-methyl-2-prop-2-enoyloxy-ethoxy)-ethoxy]-ethyl] prop-2-enoate
SMILES [?]:
CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C
InChi [?]:
InChI=1/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3
InChi Info:
AuxInfo=1/0/N:12,21,1,6,16,11,20,3,7,14,2,5,15,9,18,10,19,4,13,8,17/rA:21cCCCOCCCOCOCCOCCCOCOCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s9;d11;s2;s13;s14;s15;s15;s17;d18;s18;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O6 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.5124 |
Area: | 568.6 |
Solvation: | -6.70259 |
Coulombic: | -54.8576 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 300.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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