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
    2.9331    0.8207   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960    0.4208    0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4239   -0.8659    0.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0478   -1.1327    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -0.4180   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323   -0.7950   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6866    1.0829   -0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    1.8262    0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4067    0.1373   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    1.1284    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671   -2.2309    0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -1.0041    1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4471   -0.7594   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3784   -1.8326   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -0.7177    0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.1411   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416    1.4490    0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    1.5087   -0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253    1.5233   -0.7601 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