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
    3.1627    0.4969    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813   -0.5298   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -0.3154   -0.3930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692   -0.2840    0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2641   -0.0454    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259   -1.0933   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5006    1.3057   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2179    0.3065    0.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965    1.5294    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818   -1.5188   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853    0.5194    1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205   -1.2777    1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544   -0.1214    1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257   -2.1041   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9469   -0.9818   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.9272   -1.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3259    1.8405    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    1.2319   -1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    1.9686   -0.2631 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