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
    3.0929    0.1088    0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -0.8284   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -0.9788   -0.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158    0.1840   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543   -0.1359   -0.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8876    1.1932   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615   -0.9518    0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    0.8277    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1568    0.1637    0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0932   -1.5483   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524    0.7314    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734    0.8224   -1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3977   -0.6114   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2577    1.9083   -1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.5268    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    1.0743   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245   -1.7727    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -1.3705    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3154   -0.3425    1.1481 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