(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol

C28H36OSi — CID 11464199

IUPAC(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol
SMILESCCCC[C@@H](O)[C@H](c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36OSi/c1-5-6-22-26(29)27(23-16-10-7-11-17-23)30(28(2,3)4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-27,29H,5-6,22H2,1-4H3/t26-,27+/m1/s1
InChIKeyMBUOHWDLCXVFDO-SXOMAYOGSA-N
MW416.68 g/mol
LogP5.92
Rot. Bonds8

About (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol

(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol (PubChem CID 11464199) has the molecular formula C28H36OSi and a molecular weight of 416.68 g/mol. Its IUPAC name is (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol
PubChem CID11464199
Molecular FormulaC28H36OSi
Molecular Weight416.68 g/mol
Exact Mass416.25
IUPAC Name(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol
SMILESCCCC[C@@H](O)[C@H](c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36OSi/c1-5-6-22-26(29)27(23-16-10-7-11-17-23)30(28(2,3)4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-27,29H,5-6,22H2,1-4H3/t26-,27+/m1/s1
InChIKeyMBUOHWDLCXVFDO-SXOMAYOGSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol?
The IUPAC name of (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol (CID 11464199) is (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol.
What is the SMILES notation for (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol?
The canonical SMILES for (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol is CCCC[C@@H](O)[C@H](c1ccccc1)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol?
The InChIKey is MBUOHWDLCXVFDO-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H36OSi/c1-5-6-22-26(29)27(23-16-10-7-11-17-23)30(28(2,3)4,24-18-12-8-13-19-24)25-20-14-9-15-21-25/h7-21,26-27,29H,5-6,22H2,1-4H3/t26-,27+/m1/s1.
What are the key properties of (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol?
(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol has a molecular weight of 416.68 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol is sourced from PubChem (CID 11464199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).