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
   -3.1895    0.0565   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0201    1.0050   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277    0.4077    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108    0.1900    1.3844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3218    0.0909   -0.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.4781    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5385   -0.8255   -0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283   -0.2934   -0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    0.3979   -0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741   -0.0078    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447   -0.9634   -0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    1.2229   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533    1.9245    0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    0.2885    0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9463   -1.3427    0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192   -1.5404   -1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    0.4347    0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -0.5672   -1.0815 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