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
   -3.3927   -0.3715    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3789    0.6268   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641    0.2314    0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0439    1.3122   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    1.0720    0.1077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0306   -0.0145   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -0.8936   -1.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390   -0.2024    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1313   -1.2477   -0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0452   -0.7546   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768    0.1330    1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392   -1.2755    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    1.6368    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4948    0.7358   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826   -0.7498   -0.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917    0.2597    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322    1.4418   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529    2.2557    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464    0.5414    0.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1594   -1.4149   -0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128   -1.9943   -0.9750 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