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
    3.3911    0.0149   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.0260    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2725   -1.0146    0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060   -0.9960    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    0.1466    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    0.0020    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    0.0074   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    0.8578   -0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7681   -0.8550   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089    0.9237    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0504   -0.8701    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746   -1.9222    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4609    1.1316    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866   -1.0171    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809    0.7318    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0466    0.1718    1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -0.0401   -2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7115   -0.9406   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790    0.8489   -1.6863 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