5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol

C21H30O2Si — CID 10925936

IUPAC5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol
SMILESCC(C)(C)[Si](OCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,6,11-12,17-18H2,1-3H3
InChIKeyKDDINKVWYZFSIS-UHFFFAOYSA-N
MW342.56 g/mol
LogP3.73
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol

5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol (PubChem CID 10925936) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol
PubChem CID10925936
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol
SMILESCC(C)(C)[Si](OCCCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,6,11-12,17-18H2,1-3H3
InChIKeyKDDINKVWYZFSIS-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol (CID 10925936) is 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol is CC(C)(C)[Si](OCCCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol?
The InChIKey is KDDINKVWYZFSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-21(2,3)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)23-18-12-6-11-17-22/h4-5,7-10,13-16,22H,6,11-12,17-18H2,1-3H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol?
5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol has a molecular weight of 342.56 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxypentan-1-ol is sourced from PubChem (CID 10925936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).