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
    2.9232   -0.0936    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708    0.0804    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -0.4365   -0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778   -1.0669   -1.2848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209   -0.2240    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    1.2806    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8369   -0.8860   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1206   -0.6379   -0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579    0.2822    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225    0.6403    1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -0.6166    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1318    1.5163    0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7014    1.6312    1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    1.7405   -0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323   -1.5953   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184   -1.4507   -1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695   -0.1640   -1.1039 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