(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal

C13H28O2Si — CID 10900883

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C13H28O2Si/c1-10(2)12(11(3)9-14)15-16(7,8)13(4,5)6/h9-12H,1-8H3/t11?,12-/m1/s1
InChIKeyGHSOIJFWMWSHDH-PIJUOVFKSA-N
MW244.45 g/mol
LogP3.87
Rot. Bonds5

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal (PubChem CID 10900883) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal
PubChem CID10900883
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C13H28O2Si/c1-10(2)12(11(3)9-14)15-16(7,8)13(4,5)6/h9-12H,1-8H3/t11?,12-/m1/s1
InChIKeyGHSOIJFWMWSHDH-PIJUOVFKSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal (CID 10900883) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal?
The InChIKey is GHSOIJFWMWSHDH-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10(2)12(11(3)9-14)15-16(7,8)13(4,5)6/h9-12H,1-8H3/t11?,12-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal has a molecular weight of 244.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanal is sourced from PubChem (CID 10900883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).