5-triethylsilylchromen-2-one

C15H20O2Si — CID 90255583

IUPAC5-triethylsilylchromen-2-one
SMILESCC[Si](CC)(CC)c1cccc2oc(=O)ccc12
InChIInChI=1S/C15H20O2Si/c1-4-18(5-2,6-3)14-9-7-8-13-12(14)10-11-15(16)17-13/h7-11H,4-6H2,1-3H3
InChIKeyKOGVPMLOFJJLLY-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.51
Rot. Bonds4

About 5-triethylsilylchromen-2-one

5-triethylsilylchromen-2-one (PubChem CID 90255583) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-triethylsilylchromen-2-one.

Molecular Properties

Compound Name5-triethylsilylchromen-2-one
PubChem CID90255583
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name5-triethylsilylchromen-2-one
SMILESCC[Si](CC)(CC)c1cccc2oc(=O)ccc12
InChIInChI=1S/C15H20O2Si/c1-4-18(5-2,6-3)14-9-7-8-13-12(14)10-11-15(16)17-13/h7-11H,4-6H2,1-3H3
InChIKeyKOGVPMLOFJJLLY-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-triethylsilylchromen-2-one?
The IUPAC name of 5-triethylsilylchromen-2-one (CID 90255583) is 5-triethylsilylchromen-2-one.
What is the SMILES notation for 5-triethylsilylchromen-2-one?
The canonical SMILES for 5-triethylsilylchromen-2-one is CC[Si](CC)(CC)c1cccc2oc(=O)ccc12.
What is the InChIKey of 5-triethylsilylchromen-2-one?
The InChIKey is KOGVPMLOFJJLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-4-18(5-2,6-3)14-9-7-8-13-12(14)10-11-15(16)17-13/h7-11H,4-6H2,1-3H3.
What are the key properties of 5-triethylsilylchromen-2-one?
5-triethylsilylchromen-2-one has a molecular weight of 260.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethylsilylchromen-2-one is sourced from PubChem (CID 90255583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).