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
   -2.7502   -0.0384    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344    0.0087   -0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3868   -0.5158   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606    0.3128    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   -0.1588    1.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359   -0.2268    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    0.5923    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7188    0.3035   -0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101    0.6752    0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9344   -1.0617    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199   -0.4929   -1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    1.0803   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -1.5716   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990   -0.3881   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    0.2175    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1686    1.3840    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.9527   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    1.3434    1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503    0.5603   -0.1375 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