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
    3.3444   -0.3268    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279   -0.8444   -0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   -0.7105    0.1522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2404    0.3438   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0839    0.2453    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -1.0946    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9401    1.4013    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348    0.1924    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294   -0.4357   -0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615   -1.3599   -1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    1.3406   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059    0.1779   -1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9170    0.3064    1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698   -1.0299   -0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718   -1.7933    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -1.5532   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    2.2039   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804    1.8163    0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    1.1203   -0.7582 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