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
    3.3108    0.1404    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    0.0326   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.3875   -0.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -0.5482   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1815    0.1123   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3254    1.2255    0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856   -0.8819   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859    0.5176    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3418   -0.1432    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -0.3485   -1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2209   -1.3113   -1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3413   -0.9866    0.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3279    0.5631   -1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247    1.5379    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9303    0.8890    1.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    2.1109    0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -0.3795   -0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -1.0864    0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1272   -1.8311   -0.7038 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