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
   -3.0348    0.2502   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441   -0.2924   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7886    0.0614    0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6371   -0.4270    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    0.1537   -0.6991 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -0.1386   -1.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339    0.5156   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908    0.3042    0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068   -0.4336   -0.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919    1.2651   -0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    0.1916   -1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.3734   -0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549   -0.4020    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7886    1.1626    0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -1.5172    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -0.0349    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -0.8715   -1.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373    1.2664    0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669    0.3198   -0.6801 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