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
    3.1576    0.2368    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2869    1.2265    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0166    1.0415   -0.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -0.1060    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457   -0.2215   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -1.5125   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9715    0.8933   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    0.4181    0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -0.7419   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495    2.1913    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989   -0.9954   -0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1477   -0.0984    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9923   -0.2838   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -1.7076   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8946   -2.3070   -0.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649   -1.3671    1.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952    0.7892   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863    0.6622    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5209    1.8822   -0.2405 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