6-[tert-butyl(dimethyl)silyl]oxychromen-2-one

C15H20O3Si — CID 57384052

IUPAC6-[tert-butyl(dimethyl)silyl]oxychromen-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
InChIKeyQWMIJMAYGIBZKZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.18
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one

6-[tert-butyl(dimethyl)silyl]oxychromen-2-one (PubChem CID 57384052) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxychromen-2-one
PubChem CID57384052
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxychromen-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
InChIKeyQWMIJMAYGIBZKZ-UHFFFAOYSA-N
XLogP4.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one (CID 57384052) is 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one is CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one?
The InChIKey is QWMIJMAYGIBZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one?
6-[tert-butyl(dimethyl)silyl]oxychromen-2-one has a molecular weight of 276.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxychromen-2-one is sourced from PubChem (CID 57384052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).