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
   -2.3425    0.7593   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955   -0.1593    0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7956   -1.1916    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436   -0.5746   -0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1081    0.2144    0.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.9203   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    0.2856   -0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7369    0.2366   -1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    1.1871    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    1.6450   -0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    0.4224    1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130   -0.7259    1.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -1.8915   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -1.7973    1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    0.0304   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -1.3961   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.9437   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    0.8170   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946   -0.7256    0.2839 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