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
   -2.5103    1.0934    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028   -0.3719   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -0.8719   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388   -2.0990   -0.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937   -0.0709    0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -0.6940    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    0.2901    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    0.5332   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4118    1.4720   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7759    1.2079    1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6182    1.6683   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -0.6058   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054   -0.9908    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731   -1.1426   -0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -1.5235    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.8214    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835    0.0283   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787    1.2560   -0.3242 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