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
    3.1555    0.1828   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331    0.4282    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    0.6892    0.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -0.2924   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111    0.2363   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -0.6998   -1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6393    0.4615    1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673    0.1694   -1.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -0.0179    0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842    0.4266    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -0.4958   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275   -1.2294    0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1309    1.2207   -0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926   -0.1572   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2188   -1.6380   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134   -0.9415   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -0.4290    1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916    1.3805    1.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.7059    1.7307 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