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
    3.2635    0.0235    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -0.5764   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026   -0.5979    0.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2085    0.4602   -0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574    0.0342    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.2424   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    1.1175    0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    0.4879    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296    0.0723    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496   -1.0195   -1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630    1.3888    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    0.6287   -1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449   -0.1943    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601   -1.7678    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5855   -1.8656   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8207   -1.0391   -1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    1.4452   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1569    0.7064    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267    1.9385    0.8693 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