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
    3.1737    0.2174   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373   -0.5199    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050   -0.8118    0.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    0.1339   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996   -0.3334   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8239   -0.5973    0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178    0.7294   -1.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    0.6134   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.4372    0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181   -0.9096    1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784    1.1425    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474    0.2382   -1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -1.2803   -0.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8837   -0.2199    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965   -0.1378    1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494   -1.6953    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445    1.6709   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242    0.9489   -0.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9232    0.3735   -2.2506 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