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
    2.8776   -0.2522   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6259   -0.3669   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    0.3895    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    1.1652    1.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    0.2654   -0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -1.1584   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6364    1.1774    0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -0.8232   -0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    0.4147    0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -1.0285   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9638    0.5421   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711   -1.8083   -0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -1.2547    0.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657   -1.5093   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    2.1027    0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    0.6987    1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    1.4458    0.1646 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