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
   -1.3305   -1.0283   -1.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865    0.3019   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    0.3928    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3391    0.5336    1.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043    0.3298    0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741    0.4108    1.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4099    0.1826   -0.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341    0.1240   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -0.9000   -2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171   -1.5730   -0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2353   -1.6595   -1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642    1.1589   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6515    0.3418   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4232    0.5850    1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204    0.5997    2.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159   -0.6175   -1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876    1.1201   -0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642   -0.3027    0.2162 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