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
   -2.9435    0.2610    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080   -0.1933    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -0.2170   -0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233   -0.6881   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565    0.2062    0.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    0.0199    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    0.9734    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3914    0.3013   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -0.4292    1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558    1.2794    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965   -1.2153    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9342    0.4961    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4166   -0.9498   -1.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697    0.8001   -1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4913   -1.7150   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.7687   -1.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -0.9286    0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128    0.8388    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1755    1.9288   -0.1956 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