Monomers

2-Ethylacrylic acid

Identifiers

IUPAC name
2-methylidenebutanoic acid
InchI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)
InchI Key
WROUWQQRXUBECT-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)O
Canonical SMILES
CCC(=C)C(=O)O
Isomeric SMILES
CCC(=C)C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.6852   -0.4122    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    0.5370   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3937    0.3831   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1658    1.4136    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278   -0.8756   -0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3499   -1.8946   -0.9709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4073   -0.9774   -0.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -1.0470    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    0.1339    1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -1.0608    0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    1.5696    0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    0.4003   -1.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7123    2.3371    0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    1.3491   -0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976   -1.8560   -0.5769 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
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  4 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers