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
   -2.7017    0.4752    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351   -0.6651   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5694   -0.5207   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1416   -1.3546    0.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0964    0.4909   -1.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.5359   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699    0.6068    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799   -0.3715    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543    0.5369    1.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138    0.3002    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390    1.4314   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -0.7492   -1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2712   -1.6112    0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9633   -0.3271   -1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918    1.4351   -1.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579    1.4048    1.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1421   -1.2045    0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -0.4135    1.7713 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