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
   -3.7581   -0.5922    0.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231   -0.2668   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3036   -0.2731    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1054    0.0572   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    0.0703    0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2689    0.3610   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498    0.5969   -1.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5592    0.4073    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684    0.6831   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080   -1.6587    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5820    0.0517    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5756   -0.3731    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891    0.7431   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.9805   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    0.4492    1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155   -1.3038    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0097   -0.7941   -1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2426    1.0211   -0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    0.2011    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6092    0.8793   -1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6248    0.7210    0.2530 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