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
   -2.9925    1.0876   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4735   -0.2998    0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123   -0.3196    0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    0.2354   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318    0.2276   -0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510   -0.9192    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575   -2.0276    0.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702   -0.8098    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    0.3687    0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5493    1.8543    0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0873    1.0808    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988    1.3525   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -0.9533   -0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0364   -0.6937    1.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8598    0.1850    1.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570   -1.3855    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4108    1.2896   -0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961   -0.3049   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -1.6788    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    0.4654    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    1.2454    0.2451 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