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
   -2.7637    0.2535    1.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0418    0.1358   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6030   -0.1868   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422   -0.3452    1.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563   -0.3177   -1.1887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378   -0.6231   -1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2360    0.4508   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9011    0.1198    0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7773   -0.2215    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1851   -0.2247    1.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9066    1.3129    1.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0740    1.1099   -0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463   -0.6318   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -0.6514   -2.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306   -1.6255   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558    1.4593   -0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -0.8931    1.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131    0.8787    1.2261 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