8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol

C24H36O2Si — CID 85410296

IUPAC8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
SMILESCC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36O2Si/c1-21(25)15-9-5-6-14-20-26-27(24(2,3)4,22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-8,10-13,16-19,21,25H,5-6,9,14-15,20H2,1-4H3
InChIKeyDXDQYRDUSDQWAA-UHFFFAOYSA-N
MW384.64 g/mol
LogP4.89
Rot. Bonds10

About 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol

8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol (PubChem CID 85410296) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
PubChem CID85410296
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
SMILESCC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H36O2Si/c1-21(25)15-9-5-6-14-20-26-27(24(2,3)4,22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-8,10-13,16-19,21,25H,5-6,9,14-15,20H2,1-4H3
InChIKeyDXDQYRDUSDQWAA-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.89
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 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol (CID 85410296) is 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol is CC(O)CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The InChIKey is DXDQYRDUSDQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-21(25)15-9-5-6-14-20-26-27(24(2,3)4,22-16-10-7-11-17-22)23-18-12-8-13-19-23/h7-8,10-13,16-19,21,25H,5-6,9,14-15,20H2,1-4H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol has a molecular weight of 384.64 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol is sourced from PubChem (CID 85410296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).