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
   -2.6430   -0.4530    0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422    0.9136   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    0.7249   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0225    0.7861   -1.1377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760    0.4867    1.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5812    0.3122    1.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928   -0.8286    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.6894   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2281   -0.8647   -0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2734   -0.3497    1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -1.1878    0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3861    1.6750    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    1.1967   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    0.1354    2.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306    1.2527    0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -1.8094    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -1.5634   -1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    0.2626   -1.1272 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