2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde

C14H28O4Si — CID 14621463

IUPAC2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde
SMILESC[C@@H]1OC[C@H](CC=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11-16-9-12(7-8-15)13(18-11)10-17-19(5,6)14(2,3)4/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyYBOMQXOUDDXJJF-AGIUHOORSA-N
MW288.46 g/mol
LogP2.97
Rot. Bonds5

About 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde

2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde (PubChem CID 14621463) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde
PubChem CID14621463
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde
SMILESC[C@@H]1OC[C@H](CC=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28O4Si/c1-11-16-9-12(7-8-15)13(18-11)10-17-19(5,6)14(2,3)4/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1
InChIKeyYBOMQXOUDDXJJF-AGIUHOORSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.97
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 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde?
The IUPAC name of 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde (CID 14621463) is 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde is C[C@@H]1OC[C@H](CC=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde?
The InChIKey is YBOMQXOUDDXJJF-AGIUHOORSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11-16-9-12(7-8-15)13(18-11)10-17-19(5,6)14(2,3)4/h8,11-13H,7,9-10H2,1-6H3/t11-,12+,13+/m1/s1.
What are the key properties of 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde?
2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde has a molecular weight of 288.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]acetaldehyde is sourced from PubChem (CID 14621463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).