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
    3.2361    0.0953    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157   -0.9374    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988   -0.9031    0.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3063    0.2600    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844   -0.0132   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909    1.2692   -0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891   -1.0694    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640    0.0196    0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9067    1.0415    0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923   -1.8665    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173    0.7302    1.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    0.9921   -0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160   -0.3778   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236    1.8549   -1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5786    1.9340    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648    1.0295   -0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -0.6313    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4481   -1.6682   -0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -1.7594    1.0822 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