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
   -2.7653    0.5302    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201   -0.1719   -0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    0.1518    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779    0.9526    1.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.4206   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -1.1762   -1.2922 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355   -0.1639    0.2919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -0.6848   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7322    0.2414   -0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6687    1.6474    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8679    0.1552    1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    0.0235   -1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -1.2732   -0.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.1900    1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926    1.3655    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061   -0.7407    0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -1.6661   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131    0.0400   -0.8620 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