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
   -2.8518    0.7959    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    0.6840   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -0.7718    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853   -0.9795   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2614   -0.2326    0.6146 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -0.2046    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651    0.4577   -0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053    1.5974   -0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3280   -0.1780   -0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    1.0838    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574    1.2753    0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854    1.0852   -1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938   -1.1841    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -1.3224   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839   -2.0662   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6630   -0.7441   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.7845    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4406    0.4256   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9619    1.0628   -1.0547 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