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
   -2.8102    0.5212   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5343   -0.3039    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -0.3257    0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -0.9025   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -0.9881   -0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156    0.0716    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3565    1.2112    0.1928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3498   -0.0913    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330    0.9231    0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477    0.9617   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    1.3437   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8162   -0.1146   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8658   -1.3476    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706    0.0681    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729   -1.0330    1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    0.6717    1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849   -1.9421   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -0.3406   -1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574   -1.0897    0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468    1.9183    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875    0.7886    0.7467 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