2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde

C15H30O4Si — CID 24860033

IUPAC2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(O)O[C@H]1CC=O
InChIInChI=1S/C15H30O4Si/c1-10-12(8-9-16)18-14(17)11(2)13(10)19-20(6,7)15(3,4)5/h9-14,17H,8H2,1-7H3/t10-,11+,12-,13-,14?/m0/s1
InChIKeyXMQZXNRBXANGLA-BMNJFWBPSA-N
MW302.49 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde

2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde (PubChem CID 24860033) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde
PubChem CID24860033
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(O)O[C@H]1CC=O
InChIInChI=1S/C15H30O4Si/c1-10-12(8-9-16)18-14(17)11(2)13(10)19-20(6,7)15(3,4)5/h9-14,17H,8H2,1-7H3/t10-,11+,12-,13-,14?/m0/s1
InChIKeyXMQZXNRBXANGLA-BMNJFWBPSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde (CID 24860033) is 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(O)O[C@H]1CC=O.
What is the InChIKey of 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde?
The InChIKey is XMQZXNRBXANGLA-BMNJFWBPSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10-12(8-9-16)18-14(17)11(2)13(10)19-20(6,7)15(3,4)5/h9-14,17H,8H2,1-7H3/t10-,11+,12-,13-,14?/m0/s1.
What are the key properties of 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde?
2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde has a molecular weight of 302.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5-dimethyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 24860033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).