(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal

C12H26O3Si — CID 11299602

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O
InChIInChI=1S/C12H26O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h9-10,14H,8H2,1-7H3/t10-,12+/m1/s1
InChIKeyZCSYOZVHKKBWSQ-PWSUYJOCSA-N
MW246.42 g/mol
LogP2.74
Rot. Bonds5

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal (PubChem CID 11299602) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
PubChem CID11299602
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O
InChIInChI=1S/C12H26O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h9-10,14H,8H2,1-7H3/t10-,12+/m1/s1
InChIKeyZCSYOZVHKKBWSQ-PWSUYJOCSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal (CID 11299602) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal?
The InChIKey is ZCSYOZVHKKBWSQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h9-10,14H,8H2,1-7H3/t10-,12+/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal has a molecular weight of 246.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal is sourced from PubChem (CID 11299602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).