Monomers

Allyl propionate

Identifiers

IUPAC name
prop-2-enyl propanoate
InchI
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
InchI Key
XRFWKHVQMACVTA-UHFFFAOYSA-N
SMILES
CCC(=O)OCC=C
Canonical SMILES
CCC(=O)OCC=C
Isomeric SMILES
CCC(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.7213    0.9151   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.4179    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -0.3471   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    0.7478   -0.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2381   -1.4321    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6256   -1.2535   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -0.2254    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    0.8879    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    0.9843   -1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161    1.6914    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5545    1.1123    0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291   -0.8155    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -1.1686   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -0.8707   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648   -2.2059   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037   -0.3397    1.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    1.0813   -0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1689    1.6563    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers