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
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
1.9466
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
   -2.3410    0.6626    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499   -0.7216    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301   -0.9431   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394   -0.0041   -0.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471   -0.1207    0.4265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    0.7007    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584    0.1900    0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014    0.5922    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    1.0391   -0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937    1.3430    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -0.9800    1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -1.4299    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -2.0009   -0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164   -0.7574   -1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0205    1.0260   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -0.2930   -1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7894    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698   -0.8766    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525    0.7843    0.7493 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