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

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
    2.8217    0.0916    0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0335    0.0524   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5824   -0.1852   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -0.2365   -1.5743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228   -0.3502    0.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -0.5763    0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951    0.5519    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965    0.3146   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416    1.1404    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425   -0.5165    0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549   -0.4276    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338   -0.7209   -1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    1.0136   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5189   -0.6132    2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7117   -1.5235    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0603    1.5520    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384   -0.6764   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    1.1098   -0.9343 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