6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

C22H28O3Si — CID 14761724

IUPAC6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
SMILESCC(C)(C)[Si](OCC1CCCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18-11-10-16-21(23)25-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3
InChIKeyQMTLYJBAALMILW-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.66
Rot. Bonds5

About 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (PubChem CID 14761724) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.

Molecular Properties

Compound Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
PubChem CID14761724
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
SMILESCC(C)(C)[Si](OCC1CCCC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18-11-10-16-21(23)25-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3
InChIKeyQMTLYJBAALMILW-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.66
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 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The IUPAC name of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (CID 14761724) is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.
What is the SMILES notation for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The canonical SMILES for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is CC(C)(C)[Si](OCC1CCCC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The InChIKey is QMTLYJBAALMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-17-18-11-10-16-21(23)25-18/h4-9,12-15,18H,10-11,16-17H2,1-3H3.
What are the key properties of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one has a molecular weight of 368.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is sourced from PubChem (CID 14761724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).