Monomers

Butyl vinyl ether

Identifiers

IUPAC name
1-ethenoxybutane
InchI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InchI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES
CCCCOC=C
Canonical SMILES
CCCCOC=C
Isomeric SMILES
CCCCOC=C
Resources

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
1.9466
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
   -2.9102    0.1427    0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -0.3544    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    0.7470   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6326    0.3388   -0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137    0.0131    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6225   -0.3936    0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630   -0.6839   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    0.0090   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3309   -0.4424    1.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358    1.2104    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -1.2285   -0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397   -0.6890    1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190    1.0253   -1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332    1.6158    0.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344    1.2357   -1.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.4574   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619   -0.4789    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2961   -0.9998   -0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   -0.6098   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers