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
   -1.5151    1.2166   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9291   -0.1497    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0853   -1.2559   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.1777   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001   -0.0115   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    0.1596   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    1.1302    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373    1.2471   -1.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.7970    0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    1.8477   -0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0494   -0.2170    1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9677   -0.3250   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881   -2.2122   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732   -1.2450   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -1.3239    1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -2.0455   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599   -0.5021   -0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    1.7826    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.2848    0.9246 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