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
   -1.9764   -1.2908    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    0.0009   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5744    0.6727   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597    1.8564    0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7185    0.0442   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -1.0913   -0.7129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    0.6147    0.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158   -0.1002    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -1.5367    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7717   -1.1487    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2063   -2.1460   -0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6974    0.6420   -0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -0.2392   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    2.3382    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377    2.3359    0.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    0.5717   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836   -0.7733    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0509   -0.7505   -0.8444 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