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
   -2.4299   -1.3131    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7633    0.0441    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451   -0.0782   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    1.3396    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6635    1.4203   -0.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    0.8217    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083   -0.4477    0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -1.7816    1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9304   -1.9488   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958   -1.1361   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415    0.5346    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    0.6745   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683   -0.7383    0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0196   -0.4875   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    1.9093   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1152    1.7790    1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639    1.3880    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -1.0078   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -0.9722    1.1268 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