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
    3.3825    0.3486   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246    0.1036    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.3926   -0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    0.8534   -0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -0.1434    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.4783   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2746    0.4659    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009    0.1461    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660    0.7598   -1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223   -0.3062    1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.9444   -1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1694    1.8166   -0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -0.2924    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -1.7220   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873   -2.2221    0.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135   -1.4491   -1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1762    1.2369    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    0.8781   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -0.3326    0.8095 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