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
   -2.1950    1.0213   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -0.2261    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475   -1.1194   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539   -0.4341   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571   -0.0358    0.6984 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    0.6044    0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    0.0017    0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    1.6374   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0180    1.5862    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705    0.6531   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    0.0569    1.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8499   -0.7416    0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -1.3821   -1.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -2.0345    0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201   -1.1344   -1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1902    0.4559   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594    1.6770    0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577   -1.0869    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3676    0.5010    0.3075 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