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
    3.2895    0.0661    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.8308   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -0.8170    0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924    0.3165    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1568   -0.0827    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384   -1.0118   -0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469    1.1433    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    0.0251    0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738    0.8648    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130   -1.6235   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    1.0392    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648    0.8524   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -0.6361    1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114   -0.4101   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708   -1.3158   -0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -1.9177   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    2.0010   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954    1.0263   -0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3806    1.3108    1.2365 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