Monomers

Isobutyl vinyl ether

Identifiers

IUPAC name
1-ethenoxy-2-methylpropane
InchI
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
OZCMOJQQLBXBKI-UHFFFAOYSA-N
SMILES
C=COCC(C)C
Canonical SMILES
CC(C)COC=C
Isomeric SMILES
CC(C)COC=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
1.8025
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
    3.5838    0.2339   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478   -0.4302   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    0.0648    0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709   -0.5910   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435    0.0359    0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498   -0.7742    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410    1.4492    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256   -0.0895   -0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791    1.1635    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037   -1.3544   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480   -1.6371    0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029   -0.5497   -1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -0.0012    1.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -1.7932   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0975   -0.9207    0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907   -0.2947   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113    1.6369   -0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    1.6446   -0.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0921    2.2071    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers