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
    3.4597   -0.0928    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752   -0.2444   -0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    0.3946   -0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584   -0.4265    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677    0.3756    0.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263    1.1316   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123   -0.5930    1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129    0.5197    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919   -0.5920   -0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858   -0.8637   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5185   -0.9563    1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -1.1819   -0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8235    1.0785    1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430    2.0403   -0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410    1.4960   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7005    0.5298   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.1228    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001   -0.1021    1.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459   -1.3906    1.7341 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