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
   -2.8527   -0.9800    0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -0.3012    0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    0.8730   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0181    1.5606    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1545    0.7504    0.1893 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    0.1053   -0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344    0.2869   -1.9996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   -0.7290   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356   -0.9343    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468   -0.6665    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091   -0.6321   -0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7717   -2.0866    0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -1.0662    0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5749   -0.0289    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365    0.5973   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800    1.6111   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    2.4857   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.8976    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.2051   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.4559    1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4185   -1.5438    0.1578 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