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
   -3.4006   -0.6418    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341    0.4316    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428   -0.2130    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.9265    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    0.5820    0.1812 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998   -0.0965   -0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958   -0.4004   -1.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3168   -0.4526   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1808   -0.1462   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3799   -0.1236    0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418   -1.1793    1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635   -1.3371   -0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3211    0.9441    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    1.1337   -0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8693   -0.8048   -0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582   -0.8541    1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001    1.5446    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420    1.5867   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.9741   -1.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3865   -0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046    0.3825    0.8120 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