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
    2.5322    1.1705    0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809    0.2663    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    0.5552   -0.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1298   -0.2765   -1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -0.4598    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -1.3457   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117    0.8848    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2818    0.9590    1.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751    2.1359    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491   -0.7026    0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -1.2547   -1.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237    0.2388   -1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -0.9420    0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553   -1.1311    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   -2.4138    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851   -1.2451   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    1.2467    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    1.6087   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893    0.7056    1.1910 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