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
    2.7643    0.5772   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    0.8078   -0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6962   -0.2797    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660   -1.4464    0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6549    0.0086    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3027   -1.2859    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5375    0.6071   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521   -0.4116   -0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3694    1.3914   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    1.8414   -0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626    0.6770    1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4788   -1.8826    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0903   -1.0630    1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164   -1.8559    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319   -0.1602   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2639    1.2729   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895    1.2019   -1.2601 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