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
    1.8103   -1.4148    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312   -0.2776    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798    0.3691   -0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    1.5457    0.0755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1465   -0.2242   -1.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968    0.4802   -1.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052    0.8042   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677    0.5053    0.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -2.3006    0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -1.7122    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668   -1.1769    1.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707   -0.6605   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7014    0.5112    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9103   -0.0438   -2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0496    1.4658   -2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    1.3755   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.0490    1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070    0.8026    1.6150 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