1-phenyl-1-silylhexane-2,5-dione

C12H16O2Si — CID 123145677

IUPAC1-phenyl-1-silylhexane-2,5-dione
SMILESCC(=O)CCC(=O)C([SiH3])c1ccccc1
InChIInChI=1S/C12H16O2Si/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1,15H3
InChIKeyZAAHAQOZDLFRHU-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.03
Rot. Bonds5

About 1-phenyl-1-silylhexane-2,5-dione

1-phenyl-1-silylhexane-2,5-dione (PubChem CID 123145677) has the molecular formula C12H16O2Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-phenyl-1-silylhexane-2,5-dione.

Molecular Properties

Compound Name1-phenyl-1-silylhexane-2,5-dione
PubChem CID123145677
Molecular FormulaC12H16O2Si
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-phenyl-1-silylhexane-2,5-dione
SMILESCC(=O)CCC(=O)C([SiH3])c1ccccc1
InChIInChI=1S/C12H16O2Si/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1,15H3
InChIKeyZAAHAQOZDLFRHU-UHFFFAOYSA-N
XLogP1.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-5-phenylpentan-2-one
CID 70081529
(1-phenylethylamino) 4-oxopentanoate
CID 175030931
5,6-diphenylhexan-2-one
CID 134938963
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
5-methyl-4-oxo-6-phenylheptanoic acid
CID 91535894
4-phenyltellanylbutan-2-one
CID 14342901
1-phenylhexane-2,5-dione
CID 10035428
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
7-hydroxy-5,5-dimethyl-7-phenylheptan-2-one
CID 162419681
6-(1-phenylethoxy)hexan-2-one
CID 62030605
ethyl 5-oxo-2-phenylhexanoate
CID 15445591

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-silylhexane-2,5-dione?
The IUPAC name of 1-phenyl-1-silylhexane-2,5-dione (CID 123145677) is 1-phenyl-1-silylhexane-2,5-dione.
What is the SMILES notation for 1-phenyl-1-silylhexane-2,5-dione?
The canonical SMILES for 1-phenyl-1-silylhexane-2,5-dione is CC(=O)CCC(=O)C([SiH3])c1ccccc1.
What is the InChIKey of 1-phenyl-1-silylhexane-2,5-dione?
The InChIKey is ZAAHAQOZDLFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2Si/c1-9(13)7-8-11(14)12(15)10-5-3-2-4-6-10/h2-6,12H,7-8H2,1,15H3.
What are the key properties of 1-phenyl-1-silylhexane-2,5-dione?
1-phenyl-1-silylhexane-2,5-dione has a molecular weight of 220.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-silylhexane-2,5-dione is sourced from PubChem (CID 123145677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).