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
   -1.8361    1.0355   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048   -0.2520   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305   -1.0182   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -2.2278    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975   -0.4699    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -1.1707    0.7068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.7960   -0.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    1.3031   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9556    1.1468    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    1.8965   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4155    1.0692    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719   -0.0225   -1.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -0.8641   -0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673   -2.6450    0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -2.8034    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099    1.4521   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221    0.5565    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019    2.2179    0.5514 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