9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one

C15H32O2Si — CID 175980716

IUPAC9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one
SMILESCC(CCCC(C)(C)O)C(=O)CCC[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(9-7-11-15(2,3)17)14(16)10-8-12-18(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyFEIMZVZMQYJVGU-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.25
Rot. Bonds9

About 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one

9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one (PubChem CID 175980716) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one
PubChem CID175980716
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one
SMILESCC(CCCC(C)(C)O)C(=O)CCC[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-13(9-7-11-15(2,3)17)14(16)10-8-12-18(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyFEIMZVZMQYJVGU-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one?
The IUPAC name of 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one (CID 175980716) is 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one.
What is the SMILES notation for 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one?
The canonical SMILES for 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one is CC(CCCC(C)(C)O)C(=O)CCC[Si](C)(C)C.
What is the InChIKey of 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one?
The InChIKey is FEIMZVZMQYJVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(9-7-11-15(2,3)17)14(16)10-8-12-18(4,5)6/h13,17H,7-12H2,1-6H3.
What are the key properties of 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one?
9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one has a molecular weight of 272.50 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5,9-dimethyl-1-trimethylsilyldecan-4-one is sourced from PubChem (CID 175980716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).