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
    3.4485    0.2862   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -0.2124    0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963   -0.3153   -0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1210    0.3136    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692    0.1280   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396   -1.3403   -0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    0.8670    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141    0.6226   -1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117    0.3697    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856   -0.5577    1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355    1.4033    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -0.1573    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1460    0.5620   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9999   -1.6906   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5150   -1.5897   -0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8994   -1.9267    0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0396    0.8628    1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    1.9400    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    0.4347    0.3148 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