[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol

C25H36O3Si — CID 10047328

IUPAC[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol
SMILESCC(C)(C)[Si](OC[C@@H]1CCCCC[C@H](CO)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O3Si/c1-25(2,3)29(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22-14-8-4-7-13-21(19-26)28-22/h5-6,9-12,15-18,21-22,26H,4,7-8,13-14,19-20H2,1-3H3/t21-,22+/m1/s1
InChIKeyQAUOKDKXNRLRNV-YADHBBJMSA-N
MW412.65 g/mol
LogP4.27
Rot. Bonds6

About [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol

[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol (PubChem CID 10047328) has the molecular formula C25H36O3Si and a molecular weight of 412.65 g/mol. Its IUPAC name is [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol
PubChem CID10047328
Molecular FormulaC25H36O3Si
Molecular Weight412.65 g/mol
Exact Mass412.24
IUPAC Name[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol
SMILESCC(C)(C)[Si](OC[C@@H]1CCCCC[C@H](CO)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O3Si/c1-25(2,3)29(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22-14-8-4-7-13-21(19-26)28-22/h5-6,9-12,15-18,21-22,26H,4,7-8,13-14,19-20H2,1-3H3/t21-,22+/m1/s1
InChIKeyQAUOKDKXNRLRNV-YADHBBJMSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol?
The IUPAC name of [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol (CID 10047328) is [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol.
What is the SMILES notation for [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol?
The canonical SMILES for [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol is CC(C)(C)[Si](OC[C@@H]1CCCCC[C@H](CO)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol?
The InChIKey is QAUOKDKXNRLRNV-YADHBBJMSA-N. The full InChI is InChI=1S/C25H36O3Si/c1-25(2,3)29(23-15-9-5-10-16-23,24-17-11-6-12-18-24)27-20-22-14-8-4-7-13-21(19-26)28-22/h5-6,9-12,15-18,21-22,26H,4,7-8,13-14,19-20H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol?
[(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol has a molecular weight of 412.65 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]oxocan-2-yl]methanol is sourced from PubChem (CID 10047328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).