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
    4.3100    0.4267    0.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0810    0.8868    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902   -0.0414    0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475   -1.2626    0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6767    0.3434    0.0579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3866   -0.5489   -0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080    0.1507   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700   -0.9058   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0607    0.7918    1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512   -0.6201    0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1477    1.0813    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969    1.9450    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2526   -1.0902   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -1.3043    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755    0.8890   -1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5112   -0.5456   -1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3388   -1.1432    0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048   -1.8465   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    1.4285    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1654    1.3766    1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   -0.0112    1.7754 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