Monomers

Allyl acrylate

Identifiers

IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
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

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.5803    1.1311    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    0.3260   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2572   -0.3397   -0.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203    0.0256   -0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0742   -0.4086   -0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949   -1.1909   -1.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -0.0180    0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3650   -0.4717    0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5313    1.5884    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036    1.3421    1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    0.1275   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -0.0232   -1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4233   -1.4356   -0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371    0.6615    1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6109   -1.1392   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1259   -0.1753    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers