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
    2.7949    0.3072    0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -0.3643    0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762   -1.0168   -0.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -0.4387   -1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638    0.1105   -0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    1.1761    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221   -0.9678   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    0.3899   -0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1974    0.8042    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317   -0.3998    1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242   -1.1796   -2.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436    0.3571   -1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6492    0.5814   -1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645    1.9949    0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9363    0.7958    1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2270    1.5925    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261   -1.9675   -0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9883   -0.7565   -0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7132   -1.0186    1.0877 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