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
    2.7569    0.1985   -0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.8571   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.1220   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -1.3961   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9982    0.3227    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.5489    0.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387   -0.5516    0.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3518   -0.0926    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -0.5285   -0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910   -0.3444   -1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    0.9537   -0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    1.4880    0.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1717    1.5036   -1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965   -1.7216   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1194   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348    0.9242    0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0525   -0.7644    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -0.1561    1.7232 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