4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one

C16H32O2Si — CID 134838817

IUPAC4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(C1CCCCC1)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)16(2,3)18-19(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyLQUIFDKGSQUNBS-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.79
Rot. Bonds6

About 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one

4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one (PubChem CID 134838817) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
PubChem CID134838817
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one
SMILESCCC(=O)C(C1CCCCC1)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)16(2,3)18-19(4,5)6/h13,15H,7-12H2,1-6H3
InChIKeyLQUIFDKGSQUNBS-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
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 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one?
The IUPAC name of 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one (CID 134838817) is 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one is CCC(=O)C(C1CCCCC1)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one?
The InChIKey is LQUIFDKGSQUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)16(2,3)18-19(4,5)6/h13,15H,7-12H2,1-6H3.
What are the key properties of 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one?
4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one has a molecular weight of 284.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-5-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 134838817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).