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
    3.9614    0.2416   -0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9713   -0.6055   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6748   -0.1155    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002    1.1154    0.2827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6355   -0.9857    0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -0.5615    0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114    0.3864   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -0.3066   -1.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6920    0.6744    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226   -0.1173   -0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118    1.2968   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -1.6669   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -1.4634    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -0.1006    1.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7358    1.3020   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6646    0.4470   -2.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4157   -0.9394   -1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -0.9580   -1.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    1.7267    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798    0.6021   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9661    0.0279    1.2355 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