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
   -3.0108   -0.5782   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089    0.1753    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -0.2806    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4133   -1.1800   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563    0.2844    1.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -0.0762    1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    0.1292   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    0.9388   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179   -0.4950   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0299   -1.6404   -0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0419   -0.1928   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1896    1.2525    0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149    0.0467    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8096   -1.1079    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361    0.5961    1.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -0.4089   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642    1.4715    0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6918    1.0653   -1.3165 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