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
    3.1339    0.7039    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2969    0.3321   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9417    0.3522   -0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -0.5723   -0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244   -0.4598   -0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008    0.8855   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4233   -0.7813    1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043    0.7128    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    1.0198    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015    0.0306   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377   -1.5819   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2809   -0.3666   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734   -1.2601   -0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0150    0.8057   -0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913    1.6117    0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893    1.2446   -1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979    0.1113    1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852   -1.5684    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4253   -1.2196    1.3986 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