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
    3.1932   -0.3173   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2709   -1.2205   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440   -0.9269   -0.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512    0.1465    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900    0.3464   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318   -0.8785   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527    1.4947    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   -0.6083    0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339    0.7175   -0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374   -2.2644   -0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -0.0491    1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8831    1.0876   -0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1683    0.6014   -1.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9687   -0.5632    0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707   -1.5439   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524   -1.4799    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580    2.3561   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368    1.1890    1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.9126    1.2308 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