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
   -2.7841    0.1196   -0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    0.2306    0.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    0.5820    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5090    1.6976    1.1466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1903   -0.2375    0.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510    0.1254    0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4657   -0.8955   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -0.6402   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    0.8677   -1.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.2507   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5669   -0.9029   -1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -0.6874    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    1.0535    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7212    0.2611    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    1.1119   -0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.8869    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3710    0.3363   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865   -1.3859   -1.4911 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