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
    3.4758    0.4834   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361   -0.3290   -0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1784    0.2594   -0.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901   -0.4769    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    0.2680    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1481   -0.5814    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183    0.7323   -1.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3820    1.5640   -0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547    0.0570   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -1.3770   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5102   -0.7129    1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0823   -1.4524   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    1.1780    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948   -0.5193    2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391   -0.0740    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -1.6223    0.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    1.8013   -1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751    0.1449   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895    0.6566   -1.8340 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