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
   -3.3170    0.0685    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0903    0.2095   -0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8902   -0.1149    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0145   -0.4353    1.2814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938   -0.0746   -0.4523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807   -0.3896    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829   -0.2994   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967    0.5373    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6787   -0.9747    0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0916    0.8189   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094    0.1889    1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -0.5056   -1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447    1.2403   -1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4277    0.3005    1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -1.4174    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915   -0.9137   -1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387    0.6065   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    1.1548    0.9615 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