diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate

C21H44O8Si2 — CID 134944757

IUPACdiethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(CO[Si](CC)(CC)CC)C(O)C(C)O
InChIInChI=1S/C21H44O8Si2/c1-10-26-19(24)21(20(25)27-11-2,29-30(7,8)9)17(18(23)16(6)22)15-28-31(12-3,13-4)14-5/h16-18,22-23H,10-15H2,1-9H3
InChIKeyCQXVIONCPAYLBM-UHFFFAOYSA-N
MW480.75 g/mol
LogP3.08
Rot. Bonds15

About diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate

diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate (PubChem CID 134944757) has the molecular formula C21H44O8Si2 and a molecular weight of 480.75 g/mol. Its IUPAC name is diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate.

Molecular Properties

Compound Namediethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
PubChem CID134944757
Molecular FormulaC21H44O8Si2
Molecular Weight480.75 g/mol
Exact Mass480.26
IUPAC Namediethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(CO[Si](CC)(CC)CC)C(O)C(C)O
InChIInChI=1S/C21H44O8Si2/c1-10-26-19(24)21(20(25)27-11-2,29-30(7,8)9)17(18(23)16(6)22)15-28-31(12-3,13-4)14-5/h16-18,22-23H,10-15H2,1-9H3
InChIKeyCQXVIONCPAYLBM-UHFFFAOYSA-N
XLogP3.08
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
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
ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
CID 134944790
(3S,4S,5S)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-one
CID 22804975
(3S,4R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-one
CID 22804977
methyl (2S,3R,4S,5S)-2,3,4-trihydroxy-6-oxo-5,6-bis(trimethylsilyl)-5-trimethylsilyloxyhexanoate
CID 53910060
[(2R,3S,4R,5R)-3-ethoxy-2,4,5,6-tetrahydroxy-3-methylhexanoyl] (2R,3S,4R,5R)-3-ethoxy-2,4,5,6-tetrahydroxy-3-methylhexanoate
CID 88032056
(3R,4S,5R,6R,7R,9R,10S,11S,13R,14R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethyl-6,7,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,12-dione
CID 90320423
5-(1,2-Dihydroxyethyl)-4-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,3-dione
CID 90776577
5-(1,2-Dihydroxyethyl)-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]oxolane-2,4-dione
CID 91366664

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate?
The IUPAC name of diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate (CID 134944757) is diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate.
What is the SMILES notation for diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate?
The canonical SMILES for diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate is CCOC(=O)C(O[Si](C)(C)C)(C(=O)OCC)C(CO[Si](CC)(CC)CC)C(O)C(C)O.
What is the InChIKey of diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate?
The InChIKey is CQXVIONCPAYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O8Si2/c1-10-26-19(24)21(20(25)27-11-2,29-30(7,8)9)17(18(23)16(6)22)15-28-31(12-3,13-4)14-5/h16-18,22-23H,10-15H2,1-9H3.
What are the key properties of diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate?
diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate has a molecular weight of 480.75 g/mol, XLogP of 3.08, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate is sourced from PubChem (CID 134944757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).