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
    2.6754    0.0307    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    0.3161   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010    0.6502   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2988   -0.4747    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6269   -0.1014    0.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5664    0.2244   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4273   -0.6425   -0.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0887    0.9889    1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5901   -0.5199    0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300   -0.6071    1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722   -0.5502   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631    1.1756   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018    1.6022    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1333    0.7499   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922   -0.6608    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2025   -1.3887   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6087    1.2414   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4390   -1.6914   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1380   -0.3425   -1.4074 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