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
    2.9466   -0.2944    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002    0.1910   -0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   -0.1252    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -0.8938    1.4144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508    0.3807    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049    0.0156   -1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719   -0.0104    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0287   -0.9689    0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810   -0.0783   -0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900    0.8510   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842    1.5057    0.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844   -1.0026   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    0.7156   -1.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4180    0.1219   -2.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7984   -0.1122    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7554    0.6856    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472   -1.0342    1.4856 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