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
    2.9268   -0.0476   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215    0.4546   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.4052    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -1.6719    0.0468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8119    0.1251    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1415    0.9774   -0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -0.9824    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666   -1.1400   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8184    0.5417   -0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099    1.5228   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7595    0.7902    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707    0.4682   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    1.9120   -0.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282    1.2760   -1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9256   -1.1994    1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956   -0.6821    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -1.9397    0.0357 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