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
    3.3972   -0.0996    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    0.0202    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    0.2715   -0.6291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0317    0.8619   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    0.0175    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792    0.6559    0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0741   -1.3369   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    0.0016   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -0.2975    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591   -0.0811    1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658    1.8606   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    1.0132   -1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772   -0.0719    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874    1.5789    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9428   -0.0816    0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6729    0.7695   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9304   -1.3544   -1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3193   -2.0664    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.6613   -0.9069 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