5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione

C17H36O8Si3 — CID 90776577

IUPAC5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione
SMILESCC(COC1C(=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/h12-13,15-16,18-19H,9-11H2,1-8H3
InChIKeyZPEMYMWNUZICLQ-UHFFFAOYSA-N
MW452.73 g/mol
LogP1.63
Rot. Bonds11

About 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione

5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione (PubChem CID 90776577) has the molecular formula C17H36O8Si3 and a molecular weight of 452.73 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione
PubChem CID90776577
Molecular FormulaC17H36O8Si3
Molecular Weight452.73 g/mol
Exact Mass452.17
IUPAC Name5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione
SMILESCC(COC1C(=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/h12-13,15-16,18-19H,9-11H2,1-8H3
InChIKeyZPEMYMWNUZICLQ-UHFFFAOYSA-N
XLogP1.63
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.73
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
diethyl (2S,3S,4S,5S,6S,7S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctanedioate
CID 14737948
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
(3S,4R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 102575499
Diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
CID 134944757
ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
CID 134944790
2,5-Anhydrogluconic acid, TMS
CID 91746730
2,5-Anhydromannonic acid, TMS
CID 91746731
2,5-Anhydrotalonic acid, TMS
CID 91746732
5-(1,2-Dihydroxyethyl)-4-(3-trimethylsilylpropoxy)oxolane-2,3-dione
CID 9838956

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione?
The IUPAC name of 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione (CID 90776577) is 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione is CC(COC1C(=O)C(=O)OC1C(O)CO)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione?
The InChIKey is ZPEMYMWNUZICLQ-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/h12-13,15-16,18-19H,9-11H2,1-8H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione?
5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione has a molecular weight of 452.73 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione is sourced from PubChem (CID 90776577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).