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
    2.7681    0.6239    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5697   -0.2688    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132   -0.2541   -0.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298   -1.1433   -1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -0.7010   -0.2944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    0.5177   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684    1.3154   -1.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8612    0.8846    0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2549   -0.0059    1.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    0.0899    0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589    0.7381    1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415    1.5602    0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699    0.0867    1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517   -1.3128    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.5840   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795    0.7693   -1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2906   -2.1622   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -1.2596   -2.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3508    1.8356    0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7825   -0.9619    1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915    0.2322    1.9417 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