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
    3.5696   -0.3935   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646    0.2773   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444   -0.3335   -0.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408    0.5128    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287   -0.2637    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794   -1.1113   -0.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    0.7767    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231   -1.3896    0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    0.0153   -0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    1.2849   -0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    1.1049   -0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3977    1.1395    1.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932   -0.8945    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470   -1.7183   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531   -1.7458   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922   -0.4182   -1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578    1.7185   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    0.3901    0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    1.0485    1.5914 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