2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal

C19H50O8Si6 — CID 173276819

IUPAC2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](CCCC(O)(C=O)CO)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H50O8Si6/c1-28(2,3)23-32(13,24-29(4,5)6)27-33(25-30(7,8)9,26-31(10,11)12)16-14-15-19(22,17-20)18-21/h17,21-22H,14-16,18H2,1-13H3
InChIKeyUYLCSOLYZIVVMV-UHFFFAOYSA-N
MW575.12 g/mol
LogP4.62
Rot. Bonds16

About 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal

2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal (PubChem CID 173276819) has the molecular formula C19H50O8Si6 and a molecular weight of 575.12 g/mol. Its IUPAC name is 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal.

Molecular Properties

Compound Name2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal
PubChem CID173276819
Molecular FormulaC19H50O8Si6
Molecular Weight575.12 g/mol
Exact Mass574.21
IUPAC Name2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](CCCC(O)(C=O)CO)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H50O8Si6/c1-28(2,3)23-32(13,24-29(4,5)6)27-33(25-30(7,8)9,26-31(10,11)12)16-14-15-19(22,17-20)18-21/h17,21-22H,14-16,18H2,1-13H3
InChIKeyUYLCSOLYZIVVMV-UHFFFAOYSA-N
XLogP4.62
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.12
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal?
The IUPAC name of 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal (CID 173276819) is 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal.
What is the SMILES notation for 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal?
The canonical SMILES for 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal is C[Si](C)(C)O[Si](C)(O[Si](C)(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-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal?
The InChIKey is UYLCSOLYZIVVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H50O8Si6/c1-28(2,3)23-32(13,24-29(4,5)6)27-33(25-30(7,8)9,26-31(10,11)12)16-14-15-19(22,17-20)18-21/h17,21-22H,14-16,18H2,1-13H3.
What are the key properties of 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal?
2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal has a molecular weight of 575.12 g/mol, XLogP of 4.62, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(hydroxymethyl)-5-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]pentanal is sourced from PubChem (CID 173276819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).