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
    3.4423    0.7127   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    0.0823    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222   -0.0388   -0.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.2267    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1882    0.0572   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536    0.3769    0.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4425   -1.2841   -0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.8304   -0.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    1.1437   -1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079   -0.3375    1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226    1.3109    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389   -0.3292    1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413    0.8237   -0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934    1.4991    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2140   -0.0803    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669   -0.0358    1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -2.1086   -0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5269   -1.5455   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3302   -1.3037   -1.8638 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