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
   -2.8563    0.4396   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -0.7069   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4869   -0.0557   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6184   -1.0737   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391   -0.3717   -0.3864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645    0.5638    0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5476    0.8746    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8749    0.1189   -0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347    0.9384    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858    1.1600   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -1.3643   -0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113   -1.3240    0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454    0.7000    0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811    0.4776   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873   -1.6998    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833   -1.7071   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580    1.0397    1.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.3852   -0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.6053    1.3055 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