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
    2.9547   -0.0013    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    0.3077   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.4606    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7265   -1.4430    0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -0.1197   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -1.0923    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    1.2706   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    0.5668   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346   -0.8436    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    1.1586   -0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365   -0.1826   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653   -2.0567    0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -0.6880    1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492   -1.3634   -0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7446    1.7783   -0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4074    1.9306    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    1.2386    0.7936 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