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
   -3.1145   -0.0369   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225    0.0647   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -0.2722    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378   -0.1738   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498   -0.4644    0.7551 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9615   -0.4042    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    0.6862   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8133   -0.1730   -0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3418    0.9204    0.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1122   -0.8926    0.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -0.6376   -1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715    1.0881   -1.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7989    0.4876    1.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9624   -1.2461    0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6466   -0.8748   -1.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259    0.8501   -0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -1.2528    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511    1.5414   -0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084    0.7900   -0.6374 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