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
    3.1552    0.4972   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3939    0.0180   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0179    0.1378   -1.0684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2738   -0.4922   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090   -0.2770   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    1.1844   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -0.9448    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257    1.0339    0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2270    0.3740   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493   -0.5095   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4545   -1.5846   -0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934   -0.0540    0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976   -0.7171   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887    1.8030   -0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    1.2583   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039    1.5778    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -1.5297    1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -0.1957    1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430   -1.5795    0.6357 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