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
    4.2408   -0.8146   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298   -0.8712   -0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519   -0.1468    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    0.5391    1.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -0.1455   -0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    0.5962    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853    0.4227   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123   -1.0228   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    1.2868    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4109   -0.2316    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807   -1.3400   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835   -1.4677   -1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289    1.6785    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525    0.2738    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553    0.8352   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002   -1.2760   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891   -1.6449   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9024   -1.2429    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    2.3503    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544    1.1266    1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    1.0950   -0.0893 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