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
    3.5190    0.5636    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4859   -0.1873    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.3118   -0.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463   -0.5237   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    0.2336   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380    1.0209    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2080   -0.8347   -0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933    0.1735    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3642    1.6320    0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487   -1.2488    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -1.0757   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.2985    0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012    0.8917   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919    2.0905    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    0.9153    1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062    0.6748    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -1.3029   -1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403   -1.6630   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1942   -0.3732   -0.8717 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