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
    3.4800    0.8005    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043   -0.0481    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    0.2949    0.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736   -0.6383   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    0.1356   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328   -0.8575   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5111    0.8855    0.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    1.7921   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    0.5172    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   -1.0235    0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -1.1702   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.3433    0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9754    0.8106   -1.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0553   -0.3272   -1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327   -1.2413    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8592   -1.7322   -1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    0.2153    1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6047    1.0670    0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9992    1.8628    0.9280 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