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
    2.8528   -0.3925    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -0.3725   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777    0.3060    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6746    0.8554    1.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075    0.3609   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275   -1.0501   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255    1.1248    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7616   -0.8868    0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302    0.0836    1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.8537   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6067    0.8765   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9197   -1.3433   -1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8104   -1.7589    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3372   -1.0245   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    2.2027    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5581    0.9898    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7698    0.8826    0.0974 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