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
    3.0058    0.3125   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -0.4733   -0.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749   -0.5950   -0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2421    0.3208   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586    0.0351   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -1.3653    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482    1.0712    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5206    0.9078    0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0829    0.3745   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730   -1.0707   -1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801    1.3392   -0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6035    0.2704    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120    0.1302   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230   -1.5317    0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243   -1.6588    1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -2.0639   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471    2.0107    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9785    1.3023    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048    0.6840    1.7580 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