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
    3.3190   -0.7438    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522   -0.3964    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842   -0.9173    0.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0124   -0.0722    1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.3844    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    1.2781    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254   -0.7541   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0485   -0.3266   -0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -1.4567    0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481    0.3199   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    0.8741    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -0.5664    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    1.0339   -0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    2.1168    1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.6524    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132    1.7036   -0.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -0.4646   -1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -1.7236   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -0.9415   -0.3283 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