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
    3.2422    0.1177    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035   -0.7405    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -0.4570    0.1241 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1742   -0.0657   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2536    0.1938   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.3100    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0061   -0.9760   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0145    1.0911    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696   -0.1780    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -1.7133   -0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6237    0.8379   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573   -0.8722   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    0.5422   -1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    1.5427    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9548    0.9687    1.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371    2.1910   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -0.6482    0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0683   -1.8307   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -1.3136    0.8736 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