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
    2.5696   -0.1209    0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3118    0.6774    0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0643   -0.1054    0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078   -0.5351   -0.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055   -1.2638   -1.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -0.5911   -0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7468    0.4988   -1.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    0.3167   -0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1947   -0.0390    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3631   -1.1734    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    1.0096    1.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    1.5862    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0631   -1.0017    1.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7975    0.5437    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -1.1180   -1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.3849   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955   -0.9803   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6735    0.9852   -1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1175    0.9261   -2.2030 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