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

C15H30O4Si — CID 102346745

IUPAC2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde
SMILESCC1(C)[C@@H](CC=O)O[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10-13(17)18-11(8-9-16)15(12,4)5/h9,11-13,17H,8,10H2,1-7H3/t11-,12-,13-/m1/s1
InChIKeyKXROTDZMEQOPJN-JHJVBQTASA-N
MW302.49 g/mol
LogP3.10
Rot. Bonds4

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

2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde (PubChem CID 102346745) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde
PubChem CID102346745
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde
SMILESCC1(C)[C@@H](CC=O)O[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10-13(17)18-11(8-9-16)15(12,4)5/h9,11-13,17H,8,10H2,1-7H3/t11-,12-,13-/m1/s1
InChIKeyKXROTDZMEQOPJN-JHJVBQTASA-N
XLogP3.10
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 ≤ 53.10
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-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde (CID 102346745) is 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde is CC1(C)[C@@H](CC=O)O[C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde?
The InChIKey is KXROTDZMEQOPJN-JHJVBQTASA-N. The full InChI is InChI=1S/C15H30O4Si/c1-14(2,3)20(6,7)19-12-10-13(17)18-11(8-9-16)15(12,4)5/h9,11-13,17H,8,10H2,1-7H3/t11-,12-,13-/m1/s1.
What are the key properties of 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde?
2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde has a molecular weight of 302.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,3-dimethyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 102346745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).