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
    3.2670   -0.0426   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.5923    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1886    0.0172    0.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582    0.5949    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.0995    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377   -1.5451    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    0.6247   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -0.9957   -0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2192    0.4467   -0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6285    1.5392    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410    0.5121   -0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    1.6775    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296   -0.0802    1.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -2.0236    0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371   -1.6259   -1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772   -2.0962    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386    0.7380   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2974    0.1031   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3528    1.6634    0.1732 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