Monomers

Butyl acrylate

Identifiers

IUPAC name
butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
InchI Key
CQEYYJKEWSMYFG-UHFFFAOYSA-N
SMILES
CCCCOC(=O)C=C
Canonical SMILES
CCCCOC(=O)C=C
Isomeric SMILES
CCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.1685    0.2525   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2649   -0.7641   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906   -0.7783   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    0.5759   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    0.6282    0.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -0.1293   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -0.9565   -1.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4275   -0.0298    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919    0.8091    1.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242    1.2818   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1185    0.0437    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2065    0.0865   -0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -0.5398   -2.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -1.7473   -0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -1.5873   -0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9737   -1.0148    0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    1.2833    0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    0.9115   -1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -0.6548    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399    1.4637    1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724    0.8658    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers