2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde

C23H43NO5Si2 — CID 11488226

IUPAC2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1nc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)O2)co1
InChIInChI=1S/C23H43NO5Si2/c1-22(2,3)30(7,8)27-16-21-24-19(15-26-21)20-14-18(13-17(28-20)11-12-25)29-31(9,10)23(4,5)6/h12,15,17-18,20H,11,13-14,16H2,1-10H3/t17-,18+,20-/m1/s1
InChIKeyMQDQHPZDWQRKHS-WSTZPKSXSA-N
MW469.77 g/mol
LogP6.40
Rot. Bonds8

About 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde

2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde (PubChem CID 11488226) has the molecular formula C23H43NO5Si2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde
PubChem CID11488226
Molecular FormulaC23H43NO5Si2
Molecular Weight469.77 g/mol
Exact Mass469.27
IUPAC Name2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1nc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)O2)co1
InChIInChI=1S/C23H43NO5Si2/c1-22(2,3)30(7,8)27-16-21-24-19(15-26-21)20-14-18(13-17(28-20)11-12-25)29-31(9,10)23(4,5)6/h12,15,17-18,20H,11,13-14,16H2,1-10H3/t17-,18+,20-/m1/s1
InChIKeyMQDQHPZDWQRKHS-WSTZPKSXSA-N
XLogP6.40
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 56.40
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'}

Analyze 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde (CID 11488226) is 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OCc1nc([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC=O)O2)co1.
What is the InChIKey of 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde?
The InChIKey is MQDQHPZDWQRKHS-WSTZPKSXSA-N. The full InChI is InChI=1S/C23H43NO5Si2/c1-22(2,3)30(7,8)27-16-21-24-19(15-26-21)20-14-18(13-17(28-20)11-12-25)29-31(9,10)23(4,5)6/h12,15,17-18,20H,11,13-14,16H2,1-10H3/t17-,18+,20-/m1/s1.
What are the key properties of 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde?
2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde has a molecular weight of 469.77 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]oxan-2-yl]acetaldehyde is sourced from PubChem (CID 11488226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).