(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol

C26H40O2Si — CID 10024687

IUPAC(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol
SMILESCC[C@@H](CC[C@@H](O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24,27H,8,19-20H2,1-7H3/t21-,24+/m0/s1
InChIKeyRIWQMEWOQLEYAR-XUZZJYLKSA-N
MW412.69 g/mol
LogP5.53
Rot. Bonds8

About (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol

(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol (PubChem CID 10024687) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol
PubChem CID10024687
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol
SMILESCC[C@@H](CC[C@@H](O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24,27H,8,19-20H2,1-7H3/t21-,24+/m0/s1
InChIKeyRIWQMEWOQLEYAR-XUZZJYLKSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol?
The IUPAC name of (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol (CID 10024687) is (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol.
What is the SMILES notation for (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol?
The canonical SMILES for (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol is CC[C@@H](CC[C@@H](O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol?
The InChIKey is RIWQMEWOQLEYAR-XUZZJYLKSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-8-21(19-20-24(27)25(2,3)4)28-29(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24,27H,8,19-20H2,1-7H3/t21-,24+/m0/s1.
What are the key properties of (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol?
(3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol has a molecular weight of 412.69 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyloctan-3-ol is sourced from PubChem (CID 10024687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).