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
    3.5981    0.1487    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.3688   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    0.2910    0.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1004   -0.5031    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655    0.2499    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    1.3252   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2998   -0.7775    0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    1.0851    0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -0.3452    0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -1.3083   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -1.0613   -0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2223   -1.2516    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391    0.6928    1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412    1.4355   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.1990   -1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179    2.3081   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0268   -1.6565   -0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5116   -1.1364    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908   -0.3265   -0.1499 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