4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol

C21H29FO2Si — CID 138975569

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
SMILESCC(C)(C)[Si](OC(CF)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-22)11-10-16-23/h4-9,12-15,18,23H,10-11,16-17H2,1-3H3
InChIKeySSFNXMUCYWIQLC-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.67
Rot. Bonds8

About 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol

4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol (PubChem CID 138975569) has the molecular formula C21H29FO2Si and a molecular weight of 360.55 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
PubChem CID138975569
Molecular FormulaC21H29FO2Si
Molecular Weight360.55 g/mol
Exact Mass360.19
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
SMILESCC(C)(C)[Si](OC(CF)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-22)11-10-16-23/h4-9,12-15,18,23H,10-11,16-17H2,1-3H3
InChIKeySSFNXMUCYWIQLC-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol 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]oxy-5-fluoropentan-1-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol (CID 138975569) is 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol is CC(C)(C)[Si](OC(CF)CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol?
The InChIKey is SSFNXMUCYWIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FO2Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-22)11-10-16-23/h4-9,12-15,18,23H,10-11,16-17H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol?
4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol has a molecular weight of 360.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol is sourced from PubChem (CID 138975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).