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

C16H34O8Si3 — CID 23497849

IUPAC2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
SMILESC[Si](C)(C)O[Si](C)(CCCOC1=C(O)C(=O)OC1C(O)CO)O[Si](C)(C)C
InChIInChI=1S/C16H34O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-15-13(19)16(20)22-14(15)12(18)11-17/h12,14,17-19H,8-11H2,1-7H3
InChIKeyXTDANMDUEWKWER-UHFFFAOYSA-N
MW438.70 g/mol
LogP2.22
Rot. Bonds11

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

2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one (PubChem CID 23497849) has the molecular formula C16H34O8Si3 and a molecular weight of 438.70 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
PubChem CID23497849
Molecular FormulaC16H34O8Si3
Molecular Weight438.70 g/mol
Exact Mass438.16
IUPAC Name2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one
SMILESC[Si](C)(C)O[Si](C)(CCCOC1=C(O)C(=O)OC1C(O)CO)O[Si](C)(C)C
InChIInChI=1S/C16H34O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-15-13(19)16(20)22-14(15)12(18)11-17/h12,14,17-19H,8-11H2,1-7H3
InChIKeyXTDANMDUEWKWER-UHFFFAOYSA-N
XLogP2.22
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.70
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The IUPAC name of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one (CID 23497849) is 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one is C[Si](C)(C)O[Si](C)(CCCOC1=C(O)C(=O)OC1C(O)CO)O[Si](C)(C)C.
What is the InChIKey of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
The InChIKey is XTDANMDUEWKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-15-13(19)16(20)22-14(15)12(18)11-17/h12,14,17-19H,8-11H2,1-7H3.
What are the key properties of 2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one?
2-(1,2-dihydroxyethyl)-4-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one has a molecular weight of 438.70 g/mol, XLogP of 2.22, 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-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-2H-furan-5-one is sourced from PubChem (CID 23497849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).