4-[tert-butyl(diphenyl)silyl]oxybutan-2-one

C20H26O2Si — CID 11099461

IUPAC4-[tert-butyl(diphenyl)silyl]oxybutan-2-one
SMILESCC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-17(21)15-16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15-16H2,1-4H3
InChIKeyXCIIBPLAFLYURA-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.54
Rot. Bonds6

About 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one

4-[tert-butyl(diphenyl)silyl]oxybutan-2-one (PubChem CID 11099461) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxybutan-2-one
PubChem CID11099461
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxybutan-2-one
SMILESCC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26O2Si/c1-17(21)15-16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15-16H2,1-4H3
InChIKeyXCIIBPLAFLYURA-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.54
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 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one (CID 11099461) is 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one is CC(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one?
The InChIKey is XCIIBPLAFLYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-17(21)15-16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,15-16H2,1-4H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one?
4-[tert-butyl(diphenyl)silyl]oxybutan-2-one has a molecular weight of 326.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxybutan-2-one is sourced from PubChem (CID 11099461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).