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
    2.9588   -0.0387    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    0.2016    0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685   -0.4016   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295   -1.1933   -1.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -0.1507    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1929    1.3160    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442   -1.0331   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    0.4404    0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -0.7009   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    0.8730    1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775   -0.4075    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    1.5817   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0744    1.4820    0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    1.9017    0.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948   -1.9188    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493   -0.4703   -0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135   -1.4814   -1.4007 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