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
   -2.7922   -0.0703    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -0.7192    0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3612    0.1445   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494    1.3382   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -0.3056   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604   -1.4542    0.4129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    0.4521   -0.4865 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -0.0598   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.7492    0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0419    0.1467   -0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8413    0.8472    1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4511   -1.6782   -0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -1.0081    1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6885    1.6549   -0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    2.0315   -0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.6403    0.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    0.7949   -0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800   -0.7250   -1.3563 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