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
    3.4677   -0.7191    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -0.3138   -0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -0.5083   -0.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    0.4913   -0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473    0.1333    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780   -1.1637   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775    1.2820   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067   -1.1957    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4939   -0.5976   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    0.1617   -1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039    1.4607    0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0745    0.6645   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0358    0.0674    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -0.9360   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830   -1.7636   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -1.7278    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072    1.2467   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574    2.2081    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.2098    0.4111 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