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
    3.0321   -0.5875   -1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    0.4451   -0.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870    0.3299   -0.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491   -0.0268    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -0.0751    0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6618   -1.0749   -0.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    1.2894    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0906   -0.5033   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -1.5925   -1.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735    1.4339   -0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    0.7832    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680   -0.9687    1.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -0.3647    1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726   -1.2841   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -2.0318    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022   -0.6596   -0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8702    1.9571    0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032    1.7193    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443    1.2111   -0.5488 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