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
   -2.3848    1.2659   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -0.1118   -0.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312   -0.8353   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -1.8635    0.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1242   -0.3484   -0.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -0.9715    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.1168   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544    0.4060    0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121    1.2103    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    1.8694   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3401    1.7247   -0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2576   -0.6657   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    0.0866   -1.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -1.0055    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319   -1.9595   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    0.0608   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    1.0218    0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972    0.2324    1.5605 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