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
   -2.8025   -0.6843    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0504    0.5118    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579    0.0927   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4705   -1.1279   -0.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355    0.9905   -0.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    0.4790   -1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -0.2486   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4098    0.1672   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8062   -0.7610    1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -1.6104    0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8681   -0.6953    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005    1.0540   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    1.1771    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8679    1.3487   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -0.2395   -2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -1.1201    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800    1.0383   -0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -0.3722    0.4795 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