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
   -3.2796    0.2847   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -0.5657   -0.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1745   -0.8136   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427    0.2488   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -0.1004    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    1.1604    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -1.2890    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852    0.8453    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988    0.4232   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101   -1.1213   -1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206    1.1022    0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0095    0.4566   -1.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -0.2649    1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515    1.8362    1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6435    1.7253   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9926    0.9142    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8426   -1.1028    0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075   -1.5678   -1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -2.1714    0.6497 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