1-trimethylsilyloxyhexan-3-one

C9H20O2Si — CID 18622781

IUPAC1-trimethylsilyloxyhexan-3-one
SMILESCCCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-9(10)7-8-11-12(2,3)4/h5-8H2,1-4H3
InChIKeyUKPHPCYTZSHCQO-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.60
Rot. Bonds6

About 1-trimethylsilyloxyhexan-3-one

1-trimethylsilyloxyhexan-3-one (PubChem CID 18622781) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-trimethylsilyloxyhexan-3-one.

Molecular Properties

Compound Name1-trimethylsilyloxyhexan-3-one
PubChem CID18622781
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-trimethylsilyloxyhexan-3-one
SMILESCCCC(=O)CCO[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-9(10)7-8-11-12(2,3)4/h5-8H2,1-4H3
InChIKeyUKPHPCYTZSHCQO-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.60
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 1-trimethylsilyloxyhexan-3-one?
The IUPAC name of 1-trimethylsilyloxyhexan-3-one (CID 18622781) is 1-trimethylsilyloxyhexan-3-one.
What is the SMILES notation for 1-trimethylsilyloxyhexan-3-one?
The canonical SMILES for 1-trimethylsilyloxyhexan-3-one is CCCC(=O)CCO[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloxyhexan-3-one?
The InChIKey is UKPHPCYTZSHCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-9(10)7-8-11-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-trimethylsilyloxyhexan-3-one?
1-trimethylsilyloxyhexan-3-one has a molecular weight of 188.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyhexan-3-one is sourced from PubChem (CID 18622781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).