2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one

C17H36O8Si3 — CID 23497841

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
SMILESCC(COC1=C(O)C(=O)OC1C(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O8Si3/c1-12(11-28(8,24-26(2,3)4)25-27(5,6)7)10-22-16-14(20)17(21)23-15(16)13(19)9-18/h12-13,15,18-20H,9-11H2,1-8H3
InChIKeyZQHJJVJUBRNXOP-UHFFFAOYSA-N
MW452.73 g/mol
LogP2.46
Rot. Bonds11

About 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one

2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one (PubChem CID 23497841) has the molecular formula C17H36O8Si3 and a molecular weight of 452.73 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
PubChem CID23497841
Molecular FormulaC17H36O8Si3
Molecular Weight452.73 g/mol
Exact Mass452.17
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
SMILESCC(COC1=C(O)C(=O)OC1C(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O8Si3/c1-12(11-28(8,24-26(2,3)4)25-27(5,6)7)10-22-16-14(20)17(21)23-15(16)13(19)9-18/h12-13,15,18-20H,9-11H2,1-8H3
InChIKeyZQHJJVJUBRNXOP-UHFFFAOYSA-N
XLogP2.46
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.73
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one (CID 23497841) is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one is CC(COC1=C(O)C(=O)OC1C(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The InChIKey is ZQHJJVJUBRNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O8Si3/c1-12(11-28(8,24-26(2,3)4)25-27(5,6)7)10-22-16-14(20)17(21)23-15(16)13(19)9-18/h12-13,15,18-20H,9-11H2,1-8H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one has a molecular weight of 452.73 g/mol, XLogP of 2.46, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one is sourced from PubChem (CID 23497841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).