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
    3.6826   -0.0214    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.3528   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -0.0736   -0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961   -0.4160   -1.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9068    0.5103    0.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    0.8488    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671   -0.1955    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7878    0.6276    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4523   -1.0969   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    0.4507    1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7100   -0.2191    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7892   -0.8329   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.6198   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    1.4175    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4005   -0.7470    1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    1.2304    1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7053    1.3043   -0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6533   -0.0295    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643   -1.6332   -0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302   -0.5059   -1.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -1.8856   -0.5554 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