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
    3.4612    0.0044    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002    0.6709   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2533   -0.0366   -0.3649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    0.6170   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.2494   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -1.5009    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150    0.5253   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5405    0.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021   -1.0727    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629    1.7496   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    1.5282   -0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996    0.9440    0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094   -0.5086   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930   -2.4194   -0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -1.4803    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310   -1.5733    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951    0.3184   -0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2308    1.6342   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7245    0.3087    0.8372 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