2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one

C16H28O3Si — CID 46894949

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1(C2C=CC(=O)O2)CCCCC1
InChIInChI=1S/C16H28O3Si/c1-15(2,3)20(4,5)19-16(11-7-6-8-12-16)13-9-10-14(17)18-13/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyPLUBYPAWUXSLEH-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.19
Rot. Bonds3

About 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one

2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one (PubChem CID 46894949) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one
PubChem CID46894949
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OC1(C2C=CC(=O)O2)CCCCC1
InChIInChI=1S/C16H28O3Si/c1-15(2,3)20(4,5)19-16(11-7-6-8-12-16)13-9-10-14(17)18-13/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyPLUBYPAWUXSLEH-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one (CID 46894949) is 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one is CC(C)(C)[Si](C)(C)OC1(C2C=CC(=O)O2)CCCCC1.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one?
The InChIKey is PLUBYPAWUXSLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-15(2,3)20(4,5)19-16(11-7-6-8-12-16)13-9-10-14(17)18-13/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one?
2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one has a molecular weight of 296.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one is sourced from PubChem (CID 46894949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).