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Chemical ID: 6506609
Chemical ID:
6506609
Name [?]:
[3-allyloxy-2-(oxiran-2-ylmethoxy)propyl] acetate
SMILES [?]:
CC(=O)OCC(COCC=C)OCC1CO1
InChi [?]:
InChI=1/C11H18O5/c1-3-4-13-5-10(6-14-9(2)12)15-7-11-8-16-11/h3,10-11H,1,4-8H2,2H3
InChi Info:
AuxInfo=1/0/N:11,1,10,9,7,5,13,15,2,6,14,3,8,4,12,16/rA:16cCCOOCCCOCCCOCCCO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s6;s12;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18O5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 3.30762 |
Area: | 445.29 |
Solvation: | -7.82464 |
Coulombic: | -39.8372 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 230.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.15 |
LogP (Chemaxon): | 0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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