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
    3.0689    0.3845   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -0.6615   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321   -0.5845   -0.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120    0.2071    0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871    0.2260    0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8157   -1.1187    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    0.8363   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1462    0.3234   -0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240    1.2991   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707   -1.5766   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831    1.2451    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -0.1569    1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763    0.8666    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -1.7075   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -1.7086    1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -0.9558    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.1902   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    1.8074   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234    1.0843   -1.5148 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