[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane

C22H33NO2Si — CID 161435631

IUPAC[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane
SMILESCC(C)(C)[SiH](c1ccccc1)c1ccccc1.N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C16H20Si.C6H13NO2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;7-5-1-2-6(3-8)9-4-5/h4-13,17H,1-3H3;5-6,8H,1-4,7H2/t;5-,6+/m.1/s1
InChIKeyVYPJTOLMHGCQTL-BCBTXJGPSA-N
MW371.60 g/mol
LogP2.31
Rot. Bonds3

About [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane

[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane (PubChem CID 161435631) has the molecular formula C22H33NO2Si and a molecular weight of 371.60 g/mol. Its IUPAC name is [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane.

Molecular Properties

Compound Name[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane
PubChem CID161435631
Molecular FormulaC22H33NO2Si
Molecular Weight371.60 g/mol
Exact Mass371.23
IUPAC Name[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane
SMILESCC(C)(C)[SiH](c1ccccc1)c1ccccc1.N[C@@H]1CC[C@@H](CO)OC1
InChIInChI=1S/C16H20Si.C6H13NO2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;7-5-1-2-6(3-8)9-4-5/h4-13,17H,1-3H3;5-6,8H,1-4,7H2/t;5-,6+/m.1/s1
InChIKeyVYPJTOLMHGCQTL-BCBTXJGPSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.60
LogP ≤ 52.31
H-Bond Donors ≤ 52
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 [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane?
The IUPAC name of [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane (CID 161435631) is [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane.
What is the SMILES notation for [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane?
The canonical SMILES for [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane is CC(C)(C)[SiH](c1ccccc1)c1ccccc1.N[C@@H]1CC[C@@H](CO)OC1.
What is the InChIKey of [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane?
The InChIKey is VYPJTOLMHGCQTL-BCBTXJGPSA-N. The full InChI is InChI=1S/C16H20Si.C6H13NO2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;7-5-1-2-6(3-8)9-4-5/h4-13,17H,1-3H3;5-6,8H,1-4,7H2/t;5-,6+/m.1/s1.
What are the key properties of [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane?
[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane has a molecular weight of 371.60 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane is sourced from PubChem (CID 161435631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).