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
   -2.3176    0.8122   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7753   -0.4776    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -0.7310   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1150   -1.8255   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    0.1764    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    1.2167    0.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816   -0.0979   -0.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851    0.7675   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3372    0.6574   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    1.1196   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516    1.5981    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705   -0.3766    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526   -1.2867   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061   -2.0618   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -2.4930   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9914    0.1805    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    1.3873    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    1.4343   -0.8932 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