2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal

C15H38O6Si4 — CID 54541467

IUPAC2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal
SMILESC[Si](C)(C)O[Si](CCCC(O)(C=O)CO)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)12-10-11-15(18,13-16)14-17/h13,17-18H,10-12,14H2,1-9H3
InChIKeyZFRDLBGFMLBWKB-UHFFFAOYSA-N
MW426.81 g/mol
LogP3.18
Rot. Bonds12

About 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal

2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal (PubChem CID 54541467) has the molecular formula C15H38O6Si4 and a molecular weight of 426.81 g/mol. Its IUPAC name is 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal.

Molecular Properties

Compound Name2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal
PubChem CID54541467
Molecular FormulaC15H38O6Si4
Molecular Weight426.81 g/mol
Exact Mass426.17
IUPAC Name2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal
SMILESC[Si](C)(C)O[Si](CCCC(O)(C=O)CO)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H38O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)12-10-11-15(18,13-16)14-17/h13,17-18H,10-12,14H2,1-9H3
InChIKeyZFRDLBGFMLBWKB-UHFFFAOYSA-N
XLogP3.18
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal?
The IUPAC name of 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal (CID 54541467) is 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal.
What is the SMILES notation for 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal?
The canonical SMILES for 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal is C[Si](C)(C)O[Si](CCCC(O)(C=O)CO)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal?
The InChIKey is ZFRDLBGFMLBWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O6Si4/c1-22(2,3)19-25(20-23(4,5)6,21-24(7,8)9)12-10-11-15(18,13-16)14-17/h13,17-18H,10-12,14H2,1-9H3.
What are the key properties of 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal?
2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal has a molecular weight of 426.81 g/mol, XLogP of 3.18, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanal is sourced from PubChem (CID 54541467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).