(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde

C16H32O6Si — CID 11462195

IUPAC(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
SMILESCO[C@]1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@@]1(C)OC
InChIInChI=1S/C16H32O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h10,12-13H,11H2,1-9H3/t12-,13+,15-,16-/m1/s1
InChIKeyRUKMUEXKWHXCQB-OCVGTWLNSA-N
MW348.51 g/mol
LogP2.72
Rot. Bonds6

About (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde

(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde (PubChem CID 11462195) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
PubChem CID11462195
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
SMILESCO[C@]1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@@]1(C)OC
InChIInChI=1S/C16H32O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h10,12-13H,11H2,1-9H3/t12-,13+,15-,16-/m1/s1
InChIKeyRUKMUEXKWHXCQB-OCVGTWLNSA-N
XLogP2.72
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The IUPAC name of (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde (CID 11462195) is (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The canonical SMILES for (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde is CO[C@]1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[C@@]1(C)OC.
What is the InChIKey of (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
The InChIKey is RUKMUEXKWHXCQB-OCVGTWLNSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h10,12-13H,11H2,1-9H3/t12-,13+,15-,16-/m1/s1.
What are the key properties of (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde?
(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde has a molecular weight of 348.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde is sourced from PubChem (CID 11462195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).