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
   -1.8413   -1.0499    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673    0.3884   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146    0.9383    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366    1.9478    1.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299    0.4091    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.9298    1.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648   -0.6486   -0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967   -1.1117   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -1.7127   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -1.2074    0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524   -1.3795    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950    0.4632   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589    1.0220    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    2.4006    2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081    2.3989    1.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8006   -1.5100   -1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -1.9653    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3392   -0.3131   -0.1817 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