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
    3.2628    0.0720   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145   -0.9025   -0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305   -0.8522    0.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.1820   -0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521    0.1919    0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136   -1.1065    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892    1.2501   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    0.0215   -0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    0.9146    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -1.7458   -0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    1.1323   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    0.1093   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998    0.4355    1.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -1.0165    0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.1063   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997   -1.9816    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4163    2.2287   -0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    0.9723   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374    1.2013    0.0503 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