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
    3.4753    0.4698   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -0.3752   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.0103   -0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916   -0.5963    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -0.1199   -0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    1.3830   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3204   -0.8169    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    1.4858   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4311    0.1659    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -1.3687    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913   -1.6944   -0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -0.3389    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614   -0.3193   -1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3702    1.6733   -0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382    1.6628    0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109    1.8611   -1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144   -0.2238    1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875   -1.0470   -0.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643   -1.8113    0.6485 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