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
    2.5517   -0.9927   -1.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9893    0.0638   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    0.6051   -1.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.0995   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878    0.0608    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2834   -1.0964   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846    0.7682    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257   -1.5013   -2.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4620   -1.3713   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.5484    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246    1.8768    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825    1.6036   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2847   -0.3379    1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -2.0838    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3778   -1.0342   -1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -1.1494    0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549    0.6866    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841    0.3873    2.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390    1.8672    1.6212 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