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
   -1.5402    1.1976    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0402   -0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5459   -0.9747   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376   -2.2077    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213   -0.6188    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -1.4619    0.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2571    0.6668   -0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886    1.0381    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7499    1.1557    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278    2.1808   -0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5079    1.0904    0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549   -0.4349   -0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768    0.3810   -1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618   -2.4602   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -2.9426    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    1.7353   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    1.5022    1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    0.1126    0.2409 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