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
    3.9685   -0.9579   -0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    0.0100   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420   -0.2407    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2549   -1.3873   -0.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8710    0.7213    0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    0.7798    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4659    0.5953   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340   -0.7289   -1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8622    0.7052    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229   -0.8063   -0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181   -1.9802   -0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    0.9892    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    0.0736    1.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695    1.7881    1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.4144   -1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3916   -1.5208   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6775   -0.8185   -1.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8679   -1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758    1.1392    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3259   -0.2838    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5067    1.3762   -0.2859 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