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
   -2.1474   -1.1867    0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    0.1028   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075    0.9555    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914    0.2624   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    1.1609    0.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7698    0.8425    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1484   -0.4085   -0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487   -2.0217   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548   -1.1776    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337   -1.4504    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1714   -0.0984   -1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0073    0.7037    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280    1.3123    1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    1.8484   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473    0.0631   -1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496   -0.6455    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.5966    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030   -1.1752   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988   -0.6842   -0.3188 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