2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol

C27H33NO3Si — CID 19930873

IUPAC2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ncc(C2CC(O)CCO2)cc1CO
InChIInChI=1S/C27H33NO3Si/c1-27(2,3)32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)26-21(19-29)16-20(18-28-26)25-17-22(30)14-15-31-25/h4-13,16,18,22,25,29-30H,14-15,17,19H2,1-3H3
InChIKeyMKDMIDJLAHNZEK-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.06
Rot. Bonds5

About 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol

2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol (PubChem CID 19930873) has the molecular formula C27H33NO3Si and a molecular weight of 447.65 g/mol. Its IUPAC name is 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol.

Molecular Properties

Compound Name2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol
PubChem CID19930873
Molecular FormulaC27H33NO3Si
Molecular Weight447.65 g/mol
Exact Mass447.22
IUPAC Name2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ncc(C2CC(O)CCO2)cc1CO
InChIInChI=1S/C27H33NO3Si/c1-27(2,3)32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)26-21(19-29)16-20(18-28-26)25-17-22(30)14-15-31-25/h4-13,16,18,22,25,29-30H,14-15,17,19H2,1-3H3
InChIKeyMKDMIDJLAHNZEK-UHFFFAOYSA-N
XLogP3.06
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol?
The IUPAC name of 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol (CID 19930873) is 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol.
What is the SMILES notation for 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol?
The canonical SMILES for 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)c1ncc(C2CC(O)CCO2)cc1CO.
What is the InChIKey of 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol?
The InChIKey is MKDMIDJLAHNZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3Si/c1-27(2,3)32(23-10-6-4-7-11-23,24-12-8-5-9-13-24)26-21(19-29)16-20(18-28-26)25-17-22(30)14-15-31-25/h4-13,16,18,22,25,29-30H,14-15,17,19H2,1-3H3.
What are the key properties of 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol?
2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol has a molecular weight of 447.65 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[tert-butyl(diphenyl)silyl]-5-(hydroxymethyl)-3-pyridinyl]oxan-4-ol is sourced from PubChem (CID 19930873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).