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
    3.6228    0.9417   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -0.2521   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507   -0.5673    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3287   -1.7414   -0.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    0.3406    0.6294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3531    0.0795    1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -0.3986    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6581   -0.6295    0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    0.6453   -0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    1.1138   -0.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    1.7748    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683   -1.0524   -0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -0.6279    1.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561    1.0463    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0035   -1.3434   -0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7753    0.2205    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980   -0.6582    0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744   -1.5638    1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475    1.6265   -0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609    0.6635   -1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837    0.3820   -1.4290 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