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
    2.1941   -0.1862   -1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9663    0.0056    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675    1.0185    0.5844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    0.8302    1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846    0.0924    0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321   -1.2935    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733    0.8278   -0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    0.4615   -1.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -0.9822   -1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -0.6555    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799    1.7936    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    0.2062    2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550   -0.0180    1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530   -1.3515   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -1.6472    0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -2.0449    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    0.1640   -1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088    1.7632   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7838    1.0159   -1.4491 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