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
    3.1853    0.1524    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3060    1.1194    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0473    0.9576   -0.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187   -0.1933    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359   -0.2447   -0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043    1.0127   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8128   -1.4187   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479   -0.7641   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813    0.2583    0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    2.0388    0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973   -0.1261    1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854   -1.1195   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715   -0.2521   -1.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    1.8930   -0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8634    0.8088   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939    1.0689    0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319   -1.9424    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -2.1207   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7804   -1.1284    0.4182 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