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
   -2.3932    0.8391   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263   -0.2996   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.0852    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482   -1.2081    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101   -0.9474    1.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -0.4149    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926    0.8835    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    0.5783   -2.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    1.7992   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3640    0.9920   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -1.1418   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2017   -0.7187    0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568    0.7222    0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748    0.5646   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157   -1.6090    1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -1.9698   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245   -1.0562   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0527    1.5686    0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369    1.3329   -0.4263 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