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
   -2.6398    0.8876    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   -0.5543   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -0.9027    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7279   -1.7583    1.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416   -0.3240   -0.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -0.6439    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362    0.1540   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    0.9709   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    1.1562   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8200    1.5401   -0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827    0.9720    1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -0.6909   -1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -1.1552    0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -0.5413    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -1.7550   -0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    0.0494   -1.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    1.0881    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810    1.5072   -0.9528 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