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
   -2.9829    0.5706    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2012   -0.6185   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688   -0.7528    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -1.3305    1.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076   -0.2962   -0.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -0.4718    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.1151   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.0823    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8915    0.2488    0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3859    1.1537   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    1.3100    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0849   -0.5771   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8356   -1.5378   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5121   -0.0443    1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595   -1.5808    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -0.2606   -1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2677    1.5094    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    1.4806   -0.5107 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