2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde

C13H26O4Si — CID 134970429

IUPAC2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)O[C@H](CC=O)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-11-8-10(6-7-14)16-12(15)9-11/h7,10-12,15H,6,8-9H2,1-5H3/t10-,11?,12?/m1/s1
InChIKeyXKPWGVWEFPACGL-VOMCLLRMSA-N
MW274.43 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde

2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde (PubChem CID 134970429) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde
PubChem CID134970429
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)O[C@H](CC=O)C1
InChIInChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-11-8-10(6-7-14)16-12(15)9-11/h7,10-12,15H,6,8-9H2,1-5H3/t10-,11?,12?/m1/s1
InChIKeyXKPWGVWEFPACGL-VOMCLLRMSA-N
XLogP2.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]acetaldehyde
CID 44208039
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
6-(3-Formylpropyl)-2-(tert-butyldimethylsiloxy)tetrahydropyran
CID 21844643
2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde
CID 24860033
2-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde
CID 89321832
(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxyethyl)oxan-2-one
CID 173901375
8-[Tert-butyl(dimethyl)silyl]oxy-2-hydroxy-1-(2-methoxyoxan-2-yl)octan-4-one
CID 10872807
2-[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 11461255
2-[(2S,4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxan-4-yl]acetaldehyde
CID 102011572
2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde
CID 102346745

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde (CID 134970429) is 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC1CC(O)O[C@H](CC=O)C1.
What is the InChIKey of 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde?
The InChIKey is XKPWGVWEFPACGL-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-13(2,3)18(4,5)17-11-8-10(6-7-14)16-12(15)9-11/h7,10-12,15H,6,8-9H2,1-5H3/t10-,11?,12?/m1/s1.
What are the key properties of 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde?
2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde has a molecular weight of 274.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 134970429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).