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
    3.3387    0.5010    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993   -0.4128   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885   -0.3589    0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687   -0.5015   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632   -0.3683    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4425   -0.5065   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976    0.9609    0.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    0.5189   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386    1.3126    0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119   -1.2002   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    0.2920   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -1.4909   -1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700   -1.1608    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093   -1.1030    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    0.5164   -0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2880   -0.9443   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    1.6697    0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    0.8619    1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1148    1.4136    1.0472 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