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
    2.9659    1.3174   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    0.5553   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909    0.1516   -0.2254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365    0.0951    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2577   -0.3564    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    0.5920   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779   -1.7496   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9796    1.5858   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    1.6990   -1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    0.2179    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5857   -0.5972    1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672    1.0803    1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806   -0.3349    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484    0.2553   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    1.5854   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573    0.6502   -0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549   -1.7881   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8942   -2.5076    0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -2.0268   -0.2573 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