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
    3.4579   -0.5832    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    0.2849   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    0.0634    0.3885 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460    0.5544   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995    0.2423    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465    0.8197   -0.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515   -1.2286    0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4811   -0.4433   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2481   -1.4543    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773    1.1339   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    1.6684   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    0.2109   -1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2475    0.7118    1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102    1.8401   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2486    0.1640   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472    0.8349   -0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -1.8317   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5692   -1.3482    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339   -1.6394    1.2893 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