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
    2.7105    0.6134   -0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -0.4917    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236   -0.3392    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    0.4895    1.3782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -1.0759   -0.1320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354   -0.9318    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170    0.4447   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700    0.6097   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172    0.2707   -1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9959    0.9461   -1.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546    1.5000   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7527   -0.4366    1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261   -1.4637   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634   -1.6548   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8771   -1.1505    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263    1.3182    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4401    1.6001   -1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991   -0.2481   -1.5815 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