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
    3.9255    0.2803    0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9930   -0.5903    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -0.0825   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655    1.1576   -0.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402   -0.9352   -0.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   -0.5172   -0.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    0.3272    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7065    0.7660   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -0.4522    1.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8863   -0.0701    0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7527    1.3333    0.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617   -1.6406    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -1.4242   -1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6093   -0.0117   -1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    1.2680    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1081    0.0527   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6920    1.7900   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    0.7692    0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5269   -0.7882    1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578   -1.3883    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    0.1562    2.2755 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