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
    2.8442   -0.6688    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    0.0181    0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.6149    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -1.8123   -0.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204    0.1574    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702    1.3702   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393   -0.6679    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816   -0.1596    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -1.6707   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561    1.0430    0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    0.5775    1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7902    1.6701   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1388    1.1490   -1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849    2.2412   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -0.7231    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953   -0.2068   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859   -1.7024   -0.1903 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