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
    3.1290   -0.0849    0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   -0.4369   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373   -0.6769   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854    0.5757    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9592    0.4920    0.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    0.2509   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5873    0.1161   -1.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3472    0.1469    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2124   -0.0853   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023   -0.6091    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    1.0113    0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073   -0.4090    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698    0.4440   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369   -1.2902   -1.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8747   -1.4948    0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3609   -1.0333   -1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    0.8145    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5248    1.4271   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6943    0.2553    1.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164   -0.2021   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687   -0.1681   -0.5306 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