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
    3.1494   -0.2890   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    0.8722   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    0.9290   -0.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228   -0.2260   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0848    0.0776    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455    1.1132   -0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149   -1.1620    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575   -1.2061   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1835   -0.3329   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.7599   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -0.9873    0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596   -0.7139   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.4904    1.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574    2.1277   -0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8432    1.0316   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4885    1.0231   -1.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205   -1.2854    1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -1.1240   -0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205   -2.0981    0.1968 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