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
   -2.9718    0.3779    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9196   -0.7026    0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -0.1833    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    0.4180    1.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723   -0.3360   -1.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    0.1450   -1.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926   -0.4268   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026    0.3557    0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635    0.3906   -0.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617    1.3875    0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822    0.2302    1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078   -1.2253    1.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -1.4622   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6032   -0.1239   -2.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    1.2612   -1.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726   -1.4822   -0.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9288    1.4176    0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682   -0.0413    1.0461 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