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
   -1.9463    0.7140    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.7808    0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330   -1.3735   -0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111   -0.7786   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278    0.6124   -0.3486 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    1.4288   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    0.9866   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8306    1.0069   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324    1.2795    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855    0.9894    0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -1.0160    1.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7943   -1.2264    0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -2.4575   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -1.2563   -1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -1.3247   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8118   -0.9285    0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5052    2.4986   -0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7606    1.6859    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -0.0597   -0.1676 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