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
    3.4113   -0.1098   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677   -0.8862   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960   -0.5489    0.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860    0.2028   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0713    0.3374    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495   -1.0056    0.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0291    1.2478   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3035    0.8636    0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.4283   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995   -1.8647   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -0.3550   -1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590    1.1737   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7746    0.8762    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904   -1.7697   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -1.3165    1.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7590   -0.9326    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    1.8172    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118    1.9795   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762    0.7191   -1.0375 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