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
    3.2466    0.0846    0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300    0.3770    1.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319    0.0420    1.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.0519   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846   -0.4447   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623   -0.5627   -1.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    0.5477    0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584    0.3703    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.4466   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    0.9182    2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992    0.8691   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567   -0.8725   -0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890   -1.4344    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    0.4424   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -0.9133   -2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881   -1.2848   -1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6190   -0.0242    1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050    1.2013    0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    1.1827    1.4076 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