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

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
    3.3141    0.2241    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475    0.7616   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -0.0438   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089   -0.9989    0.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110    0.2119   -0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4369   -0.6301    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7647   -0.2748   -0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176    0.0680    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1998    0.8341   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219   -0.8266   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1288    0.1375    1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1358    0.8042   -1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.7964   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -0.5238    1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2254   -1.6806   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820   -0.2881   -1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414    0.0941    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7089    0.3347    0.0616 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