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
   -2.7039    0.7546    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -0.4955    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651   -0.0248   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644   -1.1745   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -0.6281   -0.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    0.1368    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.7142   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    1.2605   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    1.4433    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7005    0.5023    0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2421   -1.0549   -0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928   -1.1763    0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    0.5562    0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    0.6121   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -1.8439    0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.7336   -1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9038    0.2670    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764    1.2999    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    0.5849   -1.0340 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