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
   -3.0631    0.8122   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018   -0.1033   -0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038    0.3804   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398   -0.4236   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816    0.1202    0.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8794   -0.3613    0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282   -0.4992   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052    1.8494   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9845    0.5765   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448    0.7089    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2135   -1.1248   -0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7480   -0.0555   -1.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5014    1.4245   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507    0.2988    1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7369   -0.3734   -1.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186   -1.4955   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2816   -0.6378    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341   -0.2253   -1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6165   -0.8712   -0.5108 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