Monomers

1-Penten-3-one, 4-methyl-

Identifiers

IUPAC name
4-methylpent-1-en-3-one
InchI
InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
InchI Key
SNOYUTZWILESAI-UHFFFAOYSA-N
SMILES
C=CC(=O)C(C)C
Canonical SMILES
CC(C)C(=O)C=C
Isomeric SMILES
CC(C)C(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
17.07
MolLogP
1.3975
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.8653   -0.3589    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6823   -0.6017    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    0.4062    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.5263    0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094    0.1464   -0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355    1.3003   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -1.0644    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.5806    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378   -1.1261    0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4528   -1.5684   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971   -0.1574   -1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830    1.6113   -1.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    1.1140    0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    2.2173    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5321   -1.5530    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267   -0.6913    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7596   -1.7812   -0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers