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
    3.0853   -0.1390   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2821   -1.1850   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -1.1327    0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425    0.1319    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062   -0.0117    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6696    1.3894    0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -0.7812   -0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1174   -0.1628   -0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7465    0.8094    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -2.1126   -0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8634    0.7201    0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3681    0.6705   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1494   -0.5530    1.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8566    2.0686    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748    1.4543    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    1.6738   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442   -0.0768   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1891   -1.3405   -1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6154   -1.4228    0.1241 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