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
   -2.8139    0.3394   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8524   -0.2785    0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -0.1648    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658   -0.7890    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8561   -0.6835    0.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054    0.5026    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.4809   -0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2078    1.2967    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3477    0.4605   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993   -0.3309   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653    0.2168    1.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -1.3668    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294   -0.6662   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843    0.8888   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322   -0.3931    2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3092   -1.8822    1.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007    1.4374    0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659    1.3799   -0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945   -0.4483   -1.2149 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