Monomers

Isobutyl vinyl ether

Identifiers

IUPAC name
1-ethenoxy-2-methylpropane
InchI
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
OZCMOJQQLBXBKI-UHFFFAOYSA-N
SMILES
C=COCC(C)C
Canonical SMILES
CC(C)COC=C
Isomeric SMILES
CC(C)COC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.8025
H Bond Acceptors
1
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

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.4309   -0.0651    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    0.6831    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1253    0.1739    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    0.1557   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674   -0.4687   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    0.3324    0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -0.5737   -1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    0.3196    0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811   -1.0613    1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854    1.6671   -0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0652    1.1453   -1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -0.5118   -1.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8445   -1.5036    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327    0.4457    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -0.2028    1.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060    1.3095    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9509    0.1164   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1827   -1.6008   -1.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.3609   -0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers