7-trimethylsilyloxyheptan-2-one

C10H22O2Si — CID 18622788

IUPAC7-trimethylsilyloxyheptan-2-one
SMILESCC(=O)CCCCCO[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-10(11)8-6-5-7-9-12-13(2,3)4/h5-9H2,1-4H3
InChIKeyKNLSHTXPHFCLOG-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds7

About 7-trimethylsilyloxyheptan-2-one

7-trimethylsilyloxyheptan-2-one (PubChem CID 18622788) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 7-trimethylsilyloxyheptan-2-one.

Molecular Properties

Compound Name7-trimethylsilyloxyheptan-2-one
PubChem CID18622788
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name7-trimethylsilyloxyheptan-2-one
SMILESCC(=O)CCCCCO[Si](C)(C)C
InChIInChI=1S/C10H22O2Si/c1-10(11)8-6-5-7-9-12-13(2,3)4/h5-9H2,1-4H3
InChIKeyKNLSHTXPHFCLOG-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-trimethylsilyloxyheptan-2-one?
The IUPAC name of 7-trimethylsilyloxyheptan-2-one (CID 18622788) is 7-trimethylsilyloxyheptan-2-one.
What is the SMILES notation for 7-trimethylsilyloxyheptan-2-one?
The canonical SMILES for 7-trimethylsilyloxyheptan-2-one is CC(=O)CCCCCO[Si](C)(C)C.
What is the InChIKey of 7-trimethylsilyloxyheptan-2-one?
The InChIKey is KNLSHTXPHFCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-10(11)8-6-5-7-9-12-13(2,3)4/h5-9H2,1-4H3.
What are the key properties of 7-trimethylsilyloxyheptan-2-one?
7-trimethylsilyloxyheptan-2-one has a molecular weight of 202.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilyloxyheptan-2-one is sourced from PubChem (CID 18622788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).