4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one

C24H33FO2Si — CID 164684296

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one
SMILESCC(=O)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C24H33FO2Si/c1-19(26)17-20(24(5,6)25)18-27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-18H2,1-6H3
InChIKeyXFVKIWCHMPPXJP-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.91
Rot. Bonds8

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one (PubChem CID 164684296) has the molecular formula C24H33FO2Si and a molecular weight of 400.61 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one
PubChem CID164684296
Molecular FormulaC24H33FO2Si
Molecular Weight400.61 g/mol
Exact Mass400.22
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one
SMILESCC(=O)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)F
InChIInChI=1S/C24H33FO2Si/c1-19(26)17-20(24(5,6)25)18-27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-18H2,1-6H3
InChIKeyXFVKIWCHMPPXJP-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one (CID 164684296) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one is CC(=O)CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)F.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one?
The InChIKey is XFVKIWCHMPPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FO2Si/c1-19(26)17-20(24(5,6)25)18-27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,17-18H2,1-6H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one has a molecular weight of 400.61 g/mol, XLogP of 4.91, 8 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]oxymethyl]-5-fluoro-5-methylhexan-2-one is sourced from PubChem (CID 164684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).