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
    3.4787   -0.5436    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    0.2666    0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2351   -0.2322   -0.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099    0.5776   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703   -0.0185   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315   -1.3736    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2866    0.9609   -0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010   -1.6225    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257   -0.1565    0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    1.3241    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    0.7643    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    1.5375   -0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -0.1777   -1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277   -1.7132   -0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -2.0360   -0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -1.2888    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    1.7036   -1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0450    1.5726    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.4554   -0.0286 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