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
    3.2978    0.3306    0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -0.4881    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -0.2159    0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251   -0.3740   -0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044   -0.0563   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460   -0.9375    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5115    1.3972   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829    1.2568    1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422    0.1244    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491   -1.3848   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663   -1.4377   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    0.2824   -1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -0.2629   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919   -1.8286    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624   -1.3167    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.3459    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814    1.5178    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    1.9706   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    1.7685    0.7051 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