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
    2.3606    0.8579   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9992   -0.5039    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7758   -1.0717   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792   -0.1443   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5491   -0.6372   -0.8961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442    0.0357   -0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2255    0.4669    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515    1.6717    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.8378   -1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160    1.0853   -0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345   -1.1974   -0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429   -0.4285    1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -2.0843   -0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9894   -1.1773   -1.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5124   -0.0526    0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    0.8498   -0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177    0.2219   -1.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1666    0.9928    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6533    0.2775    1.2207 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