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
    3.1800   -0.0917    0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    0.8337   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1056    0.8446    0.0755 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173   -0.3107    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    0.1038    0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834    0.8850   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566   -1.0607    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -0.8640    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2632   -0.1278    0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749    1.5822   -0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.9448   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -0.9145    1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331    0.7687    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1320    0.2351   -1.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031    1.6884   -0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829    1.3377   -1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -1.7585    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404   -1.5618   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -0.6448    0.7785 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