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
   -2.9047    0.2749    0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7143    0.2111   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010   -0.3995    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095   -0.3866   -0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063   -0.9285   -0.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3649   -0.2957    0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346    0.3267    0.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    1.0307   -0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002    0.6512    1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -0.6957    0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9899   -0.3849   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413    1.2213   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1472    0.2202    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -1.4454    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -0.9233   -1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257    0.6835   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991   -0.3294    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9146    0.7997    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1133    0.3698   -0.2767 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