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
    3.4958   -1.1765    0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147   -0.1887   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765    0.4133   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124    1.3665   -0.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972   -0.0244    0.8518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3956    0.5022    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934    0.3872   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    0.9945    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5462   -1.0358   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -1.6118    0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393   -1.5476    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7558    0.1997   -1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8263   -0.0048    1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289    1.5899    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871    0.9858   -0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421    1.0057    1.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4723    0.3761   -0.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814    2.0296   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710   -1.3957   -1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5884   -1.1327   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4823   -1.7324    0.3473 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