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

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
   -1.3210    1.2900   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -0.0908   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731   -1.1847   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109   -1.2528    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -0.1067    0.9378 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    0.3705   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9638    0.8345    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914    1.5136    0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773    2.0000   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    1.5379   -1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422   -0.1826   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5258   -0.2147    0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -2.1478   -0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -1.1460   -1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211   -2.0842    0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164   -1.5424    1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844    0.3558   -1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5672    1.1903   -0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3599    0.8602    1.1839 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