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
    3.2788   -0.0431    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0733    0.4796    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2756    0.2066   -0.7897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -0.6203   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -0.0957    0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    1.3110   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1292   -0.9323    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7035   -0.7005   -0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    0.1750    1.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    1.1293    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -1.6543   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127   -0.7069   -1.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -0.1208    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3990    1.8421   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6685    1.7976    0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082    1.2585   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0298   -1.8333    0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4815   -1.1990   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9284   -0.2936    0.6368 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