2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde

C13H26O3Si — CID 23248665

IUPAC2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC=O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyKEDSOWFTPGPNQH-NEPJUHHUSA-N
MW258.43 g/mol
LogP3.14
Rot. Bonds4

About 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde (PubChem CID 23248665) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
PubChem CID23248665
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC=O
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12+/m1/s1
InChIKeyKEDSOWFTPGPNQH-NEPJUHHUSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.14
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 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde (CID 23248665) is 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC=O.
What is the InChIKey of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde?
The InChIKey is KEDSOWFTPGPNQH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h9,11-12H,6-8,10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde?
2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde has a molecular weight of 258.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde is sourced from PubChem (CID 23248665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).