(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde

C13H26O3Si — CID 22848911

IUPAC(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
SMILESC[C@@H]1CO[C@@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-10-7-11(12(8-14)15-9-10)16-17(5,6)13(2,3)4/h8,10-12H,7,9H2,1-6H3/t10-,11+,12-/m0/s1
InChIKeyIZOQLEBLIBCEBK-TUAOUCFPSA-N
MW258.43 g/mol
LogP3.00
Rot. Bonds3

About (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde

(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde (PubChem CID 22848911) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
PubChem CID22848911
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde
SMILESC[C@@H]1CO[C@@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-10-7-11(12(8-14)15-9-10)16-17(5,6)13(2,3)4/h8,10-12H,7,9H2,1-6H3/t10-,11+,12-/m0/s1
InChIKeyIZOQLEBLIBCEBK-TUAOUCFPSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde?
The IUPAC name of (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde (CID 22848911) is (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde.
What is the SMILES notation for (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde?
The canonical SMILES for (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde is C[C@@H]1CO[C@@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde?
The InChIKey is IZOQLEBLIBCEBK-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-7-11(12(8-14)15-9-10)16-17(5,6)13(2,3)4/h8,10-12H,7,9H2,1-6H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde?
(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde has a molecular weight of 258.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxane-2-carbaldehyde is sourced from PubChem (CID 22848911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).