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
    3.3062    0.7279   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -0.1890   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    0.0559   -0.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.7003    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182   -0.3488    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022   -0.5534   -1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    1.0196    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613    1.7342   -0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3577    0.5308   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7187   -1.1598    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -0.4668    1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -1.7804    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388   -1.0762    0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039   -1.5964   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    0.2027   -1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970   -0.4064   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    1.1802    1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3396    1.7684   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009    1.0577    0.8342 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