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
   -3.3037    0.1336    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0970    0.1768   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8570   -0.1261    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453   -0.3739    1.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761   -0.1464   -0.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867   -0.4299    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7006   -0.3556   -0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    0.5042   -0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2029   -0.1816   -0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5777    1.1298    0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247   -0.5816    1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.1973   -1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2169   -0.5341   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    0.2974    1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -1.4414    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -1.0049   -1.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550    1.1526    0.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974    0.5836   -1.2346 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