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

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
    2.8962   -0.0022   -0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095    0.0172    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229   -0.3338   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -0.6553   -1.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6949   -0.3117    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    1.0513    0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017   -0.7347   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.2606   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166   -0.2807   -1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8478    0.2986    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301   -1.0474    1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1228    1.7271    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4148    0.9342    1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945    1.5536    0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682   -0.0577   -0.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.6654   -1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613   -1.7538   -0.1695 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