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
    3.1444    0.3654   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464    0.8633   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294    0.7708   -0.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -0.3001   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -0.3478    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978    1.0147    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901   -1.3812    0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290    0.4546    0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -0.1214   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496    1.3538    0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -1.2633   -1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -0.0387   -1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -0.4458    1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    1.3454   -0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773    1.6918    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3321    0.8653    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6921   -0.9343   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191   -2.3137   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433   -1.5787    1.4328 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