Monomers

Methyl 2-ethylacrylate

Identifiers

IUPAC name
methyl 2-methylidenebutanoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h2,4H2,1,3H3
InchI Key
JKJJSJJGBZXUQV-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)OC
Canonical SMILES
CCC(=C)C(=O)OC
Isomeric SMILES
CCC(=C)C(=O)OC
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
    2.2271    1.0166    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6888   -0.3027    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494   -0.7062    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388   -1.8343   -0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498    0.1024    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522    1.1813    0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129   -0.2711   -0.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1016    0.5205   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9026    1.2390   -0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8723    1.8194    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321    1.0034    0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837   -0.2327    1.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818   -1.0656    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4606   -2.1695   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437   -2.4273   -0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591   -0.0592   -0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546    1.4422    0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296    0.7438   -1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers