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
   -1.9399    0.6438   -1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2304    0.7149   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370   -0.6203    0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441   -0.3666    1.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.6324    1.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    0.3779    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187   -0.7492    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330    1.3039   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2787   -0.3880   -1.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728    0.9622   -2.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503    0.9955    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860    1.4282   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902   -0.9841   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4464   -1.3501    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477    0.0155    2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5111   -1.2864    1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    1.0807   -0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010   -1.4963    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988   -0.9141   -0.3366 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