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

C12H24O4Si — CID 89393450

IUPAC(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CO[C@H](C=O)CO1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyJAPAAQHZNCLICP-GHMZBOCLSA-N
MW260.41 g/mol
LogP1.99
Rot. Bonds4

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

(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde (PubChem CID 89393450) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
PubChem CID89393450
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CO[C@H](C=O)CO1
InChIInChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3/t10-,11-/m1/s1
InChIKeyJAPAAQHZNCLICP-GHMZBOCLSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The IUPAC name of (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde (CID 89393450) is (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde.
What is the SMILES notation for (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The canonical SMILES for (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1CO[C@H](C=O)CO1.
What is the InChIKey of (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
The InChIKey is JAPAAQHZNCLICP-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-11-8-14-10(6-13)7-15-11/h6,10-11H,7-9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde?
(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde has a molecular weight of 260.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde is sourced from PubChem (CID 89393450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).