Chemical ID: 4963960

CC(=C)COC(=O)c1ccccc1C(=O)OCC2(CO2)C
Chemical ID:
4963960
Name [?]:
2-methylprop-2-enyl (2-methyloxiran-2-yl)methyl benzene-1,2-dicarboxylate
SMILES [?]:
CC(=C)COC(=O)c1ccccc1C(=O)OCC2(CO2)C
InChi [?]:
InChI=1/C16H18O5/c1-11(2)8-19-14(17)12-6-4-5-7-13(12)15(18)20-9-16(3)10-21-16/h4-7H,1,8-10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:3,1,21,10,11,9,12,4,17,19,2,8,13,6,14,18,7,15,5,16,20/rA:21cCCCCOCOCCCCCCCOOCCCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s18s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.37438
Area:509.658
Solvation:-4.36708
Coulombic:-49.1647
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:290.311
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.41
LogP (Chemaxon):1.84

Name Annotations

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Descriptor Annotations

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