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

C16H34O8Si3 — CID 91366664

IUPAC5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione
SMILESC[Si](C)(C)O[Si](C)(CCCOC1C(=O)OC(C(O)CO)C1=O)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)14(12(18)11-17)22-16(15)20/h12,14-15,17-18H,8-11H2,1-7H3
InChIKeyYRRWYWLJQKHFCZ-UHFFFAOYSA-N
MW438.70 g/mol
LogP1.38
Rot. Bonds11

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

5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione (PubChem CID 91366664) has the molecular formula C16H34O8Si3 and a molecular weight of 438.70 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione
PubChem CID91366664
Molecular FormulaC16H34O8Si3
Molecular Weight438.70 g/mol
Exact Mass438.16
IUPAC Name5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione
SMILESC[Si](C)(C)O[Si](C)(CCCOC1C(=O)OC(C(O)CO)C1=O)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)14(12(18)11-17)22-16(15)20/h12,14-15,17-18H,8-11H2,1-7H3
InChIKeyYRRWYWLJQKHFCZ-UHFFFAOYSA-N
XLogP1.38
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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
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
5-(1,2-Dihydroxyethyl)-4-(trimethylsilylmethoxy)oxolane-2,3-dione
CID 9881681

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione?
The IUPAC name of 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione (CID 91366664) is 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione is C[Si](C)(C)O[Si](C)(CCCOC1C(=O)OC(C(O)CO)C1=O)O[Si](C)(C)C.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione?
The InChIKey is YRRWYWLJQKHFCZ-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)14(12(18)11-17)22-16(15)20/h12,14-15,17-18H,8-11H2,1-7H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione?
5-(1,2-dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione has a molecular weight of 438.70 g/mol, XLogP of 1.38, 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)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione is sourced from PubChem (CID 91366664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).