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
    3.0756    0.6534   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988   -0.5044   -0.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1153   -0.5718   -0.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -0.3700    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -0.4610   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670    0.5749   -1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -0.1717    1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5463    1.5908   -0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372    0.6872   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -1.4529   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4918   -1.2089    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    0.5578    0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999   -1.4845   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168    0.4521   -2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584    0.4161   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3538    1.5719   -0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    0.9324    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0476   -0.5007    1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -0.7108    2.0670 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