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
    3.0625   -0.7344   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062   -0.4760    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958    0.1007   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5023    0.2991    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5996    0.8471   -0.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879    1.1094    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670    0.1557    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.1606   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -1.2372   -1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822   -1.4450    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    0.2772    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479   -1.4315    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3787   -0.5317   -1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764    1.0851   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -0.6698    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193    0.9205    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    2.0987    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4732   -0.8560    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6124    0.3274    0.9236 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