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
   -3.2170    0.2852   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -0.2449   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.2808    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -0.3198    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296    0.0843    0.8551 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -0.4191    0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9032    0.4018    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9700   -0.4230   -0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377    1.2642   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3861    0.3892    1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5935    0.0574   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.3470   -0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044    0.0083    1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    1.3801    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -1.4222    0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    0.0024   -0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245   -1.4730    0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    0.0300    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    1.4655    0.5496 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