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
    3.1587   -0.2240    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.8786   -0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612   -0.8515   -0.6438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3490   -0.0187    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558   -0.1472    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797    0.2055   -1.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    0.6194    1.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7961    0.3732    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291   -0.2625   -0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560   -1.4557   -1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825    1.0298    0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114   -0.3050    1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4003   -1.2301    0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2007   -0.6949   -1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6710    0.8565   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0629    0.6641   -1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384    0.1986    2.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452    1.7056    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.4154    1.4141 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