Monomers

Isobutyl acrylate

Identifiers

IUPAC name
2-methylpropyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=C
Isomeric SMILES
CC(C)COC(=O)C=C
Resources
cid=

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
1.3716
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
    4.0189    0.1738   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -0.6349   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.4083   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041    0.5787    0.7207 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153   -1.2037   -0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -1.0812    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    0.0437   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302    1.4319   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8959   -0.1848    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864    1.0178    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172    0.0444   -0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -1.4646   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8227   -1.1764    1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128   -2.0254   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183    0.0248   -1.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017    1.6321    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    1.8814   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248    2.1371   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6982    0.1130   -0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0419   -1.2561    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870    0.3568    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers