2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone

C24H26O2Si — CID 11728479

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone
SMILESCC(C)(C)[Si](OCC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)20-13-7-4-8-14-20/h4-18H,19H2,1-3H3
InChIKeySDKHQXBHBMBYRZ-UHFFFAOYSA-N
MW374.56 g/mol
LogP4.45
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone

2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone (PubChem CID 11728479) has the molecular formula C24H26O2Si and a molecular weight of 374.56 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone
PubChem CID11728479
Molecular FormulaC24H26O2Si
Molecular Weight374.56 g/mol
Exact Mass374.17
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone
SMILESCC(C)(C)[Si](OCC(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2Si/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)20-13-7-4-8-14-20/h4-18H,19H2,1-3H3
InChIKeySDKHQXBHBMBYRZ-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 54.45
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 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone (CID 11728479) is 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone is CC(C)(C)[Si](OCC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone?
The InChIKey is SDKHQXBHBMBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2Si/c1-24(2,3)27(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)20-13-7-4-8-14-20/h4-18H,19H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone?
2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone has a molecular weight of 374.56 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethanone is sourced from PubChem (CID 11728479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).