Monomers

3-Methyl-3-buten-2-one

Identifiers

IUPAC name
3-methylbut-3-en-2-one
InchI
InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InchI Key
ZGHFDIIVVIFNPS-UHFFFAOYSA-N
SMILES
CC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)C
Isomeric SMILES
CC(=C)C(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
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

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9536    0.1766    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915   -0.5652    0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6622   -1.6712    1.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251   -0.0140   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    1.1717   -0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162   -0.7477   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    1.2352    0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    0.0779   -0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428   -0.2063    1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4169    1.7189   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4045    1.6054   -1.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201   -1.6927   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265   -0.1614   -0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -0.9272    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers