1-[tert-butyl(diphenyl)silyl]oxypropan-2-one

C19H24O2Si — CID 3316111

IUPAC1-[tert-butyl(diphenyl)silyl]oxypropan-2-one
SMILESCC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24O2Si/c1-16(20)15-21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3
InChIKeySWJFINTVMBQINN-UHFFFAOYSA-N
MW312.49 g/mol
LogP3.15
Rot. Bonds5

About 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one

1-[tert-butyl(diphenyl)silyl]oxypropan-2-one (PubChem CID 3316111) has the molecular formula C19H24O2Si and a molecular weight of 312.49 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxypropan-2-one
PubChem CID3316111
Molecular FormulaC19H24O2Si
Molecular Weight312.49 g/mol
Exact Mass312.15
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxypropan-2-one
SMILESCC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H24O2Si/c1-16(20)15-21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3
InChIKeySWJFINTVMBQINN-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.15
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 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one (CID 3316111) is 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one is CC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one?
The InChIKey is SWJFINTVMBQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2Si/c1-16(20)15-21-22(19(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one?
1-[tert-butyl(diphenyl)silyl]oxypropan-2-one has a molecular weight of 312.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxypropan-2-one is sourced from PubChem (CID 3316111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).