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
    3.2665    0.5543   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    0.0212    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    0.2675    0.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327   -0.8275    0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.4554    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6140    0.1120   -1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7695    0.5341    1.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192    0.3428   -0.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126    1.2394   -1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827   -0.6479    1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649   -1.5631   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936   -1.2873    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -1.3831    0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046    0.7863   -1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    0.7002   -1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777   -0.7440   -1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7286    0.1027    2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415    1.5031    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476    0.7446    0.9725 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