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
    1.5808   -0.8481    2.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181   -0.4759    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -1.2100    0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333   -1.0525   -0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3565    0.3062   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    1.4074    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    0.2011   -1.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.2038    3.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251   -1.8000    2.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.4745    0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0566   -1.7396   -1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -1.4700    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636    0.5769   -1.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    1.1361    1.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    1.8922    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582    2.2549   -0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547   -0.3889   -2.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -0.2827   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    1.2222   -1.8989 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