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
    3.2733   -0.5031   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5100    0.2989    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.5096    0.0676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981   -0.4659    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0777    0.2050   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840    1.3165    0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -0.7388   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2935   -0.6564    0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -1.0075   -1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.7949    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0343   -0.9714    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774   -1.2099   -0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418    0.6415   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6643    2.1338    0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376    1.6385    0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284    0.9303    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.1970    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -0.1610   -0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1477   -1.5581   -1.1794 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