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
   -2.5036    0.0886   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    0.2802    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4770   -0.7403    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383   -0.8582   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    0.3591   -0.8575 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444    0.9729    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    0.5642    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    0.1385   -1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.9015   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779   -0.8575   -0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    1.3029    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1554    0.2475    1.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -1.7255    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487   -0.4380    1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -1.1828   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -1.5974   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261    1.7878    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8930    1.0021    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -0.2455   -0.4226 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