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
   -2.7023   -0.1070   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669    0.7801    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3471    0.5434   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0921   -0.8859    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512   -0.9601   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499   -0.1878    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023   -0.0862   -0.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028   -1.0134    0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674    0.4471   -0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -0.4464   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8938    0.6623    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0185    1.8292    0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3055    1.2344    0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2772    0.7495   -1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4953   -1.5827   -0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426   -1.2168    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    0.3307    1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705   -0.6024   -1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4080    0.5120    0.0247 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