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
    3.0464   -0.5217    1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.1513    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1513   -1.0018    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -0.6747   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485    0.4931    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2294    0.1614    1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0181    0.6497   -0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8845    0.1137    1.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -1.4316    2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3904    0.7656   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2502   -0.4678   -1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -1.5629   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1975    1.4328    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641   -0.2637    1.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115    1.1113    2.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997   -0.6074    1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794    1.1141   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642    1.2063   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488   -0.3653   -1.0117 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