6-trimethylsilylhexan-2-one

C9H20OSi — CID 10080847

IUPAC6-trimethylsilylhexan-2-one
SMILESCC(=O)CCCC[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(10)7-5-6-8-11(2,3)4/h5-8H2,1-4H3
InChIKeyZDGOSACACZUGCT-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds5

About 6-trimethylsilylhexan-2-one

6-trimethylsilylhexan-2-one (PubChem CID 10080847) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 6-trimethylsilylhexan-2-one.

Molecular Properties

Compound Name6-trimethylsilylhexan-2-one
PubChem CID10080847
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name6-trimethylsilylhexan-2-one
SMILESCC(=O)CCCC[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-9(10)7-5-6-8-11(2,3)4/h5-8H2,1-4H3
InChIKeyZDGOSACACZUGCT-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilylhexan-2-one?
The IUPAC name of 6-trimethylsilylhexan-2-one (CID 10080847) is 6-trimethylsilylhexan-2-one.
What is the SMILES notation for 6-trimethylsilylhexan-2-one?
The canonical SMILES for 6-trimethylsilylhexan-2-one is CC(=O)CCCC[Si](C)(C)C.
What is the InChIKey of 6-trimethylsilylhexan-2-one?
The InChIKey is ZDGOSACACZUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-9(10)7-5-6-8-11(2,3)4/h5-8H2,1-4H3.
What are the key properties of 6-trimethylsilylhexan-2-one?
6-trimethylsilylhexan-2-one has a molecular weight of 172.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilylhexan-2-one is sourced from PubChem (CID 10080847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).