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
    3.9379   -0.5025    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0322    0.4121    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6797    0.0698   -0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579   -1.1574   -0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930    0.9893   -0.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6247    0.6342   -0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -0.2079    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587    0.4791    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.4233   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9468   -0.2751    0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696   -1.5395    0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2947    1.4473    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    1.5064   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -0.0051   -1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -1.1986    0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197    0.1598    2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    1.5745    1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834    0.0924    1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950    0.5657   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4253   -0.7125    0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -1.1846   -1.2954 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