(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine

C13H29NO2Si — CID 59653325

IUPAC(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine
SMILESC[C@@H]1[C@H](N)C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C13H29NO2Si/c1-9-10(2)15-12(8-11(9)14)16-17(6,7)13(3,4)5/h9-12H,8,14H2,1-7H3/t9-,10-,11+,12+/m0/s1
InChIKeyRFKVIOQHRBEDFH-NNYUYHANSA-N
MW259.47 g/mol
LogP3.11
Rot. Bonds2

About (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine

(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine (PubChem CID 59653325) has the molecular formula C13H29NO2Si and a molecular weight of 259.47 g/mol. Its IUPAC name is (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine.

Molecular Properties

Compound Name(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine
PubChem CID59653325
Molecular FormulaC13H29NO2Si
Molecular Weight259.47 g/mol
Exact Mass259.20
IUPAC Name(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine
SMILESC[C@@H]1[C@H](N)C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H]1C
InChIInChI=1S/C13H29NO2Si/c1-9-10(2)15-12(8-11(9)14)16-17(6,7)13(3,4)5/h9-12H,8,14H2,1-7H3/t9-,10-,11+,12+/m0/s1
InChIKeyRFKVIOQHRBEDFH-NNYUYHANSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.11
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 (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine?
The IUPAC name of (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine (CID 59653325) is (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine.
What is the SMILES notation for (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine?
The canonical SMILES for (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine is C[C@@H]1[C@H](N)C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H]1C.
What is the InChIKey of (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine?
The InChIKey is RFKVIOQHRBEDFH-NNYUYHANSA-N. The full InChI is InChI=1S/C13H29NO2Si/c1-9-10(2)15-12(8-11(9)14)16-17(6,7)13(3,4)5/h9-12H,8,14H2,1-7H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine?
(2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine has a molecular weight of 259.47 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyloxan-4-amine is sourced from PubChem (CID 59653325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).