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
   -3.1009    0.0045   -0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8673   -0.5465    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7131    0.3538   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -0.0937    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    0.8484   -0.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733    0.6386    0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363   -0.2242   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    0.5669   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6584    0.7179    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7823   -0.8145   -0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6732   -1.5494   -0.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -0.6166    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    1.3646    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    0.4238   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559   -1.1279    0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -0.0179    1.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1992    1.2132    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499   -0.3669    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756   -0.7744   -1.0171 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