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
    2.8729    0.5422   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6632    0.1053   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -0.0146    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8015    0.2908    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129   -0.5117   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    0.4479   -1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -0.6662    1.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474    0.8052    0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6842    0.6443   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -0.1478   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5501   -1.4948   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179    0.8486   -1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -0.0084   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    1.3235   -0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603   -0.7788    2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961    0.2175    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243   -1.6030    0.9728 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