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Chemical ID: 6687462
Chemical ID:
6687462
Name [?]:
3-(3-allyloxypropoxy)propyl 2-methylprop-2-enoate
SMILES [?]:
CC(=C)C(=O)OCCCOCCCOCC=C
InChi [?]:
InChI=1/C13H22O4/c1-4-7-15-8-5-9-16-10-6-11-17-13(14)12(2)3/h4H,1-2,5-11H2,3H3
InChi Info:
AuxInfo=1/0/N:17,3,1,16,12,8,15,13,11,9,7,2,4,5,14,10,6/rA:17nCCCCOOCCCOCCCOCCC/rB:s1;d2;s2;d4;s4;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05928 |
Area: | 512.338 |
Solvation: | -4.74918 |
Coulombic: | -37.219 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 242.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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