ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate

C19H38O7Si2 — CID 134944790

IUPACethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
SMILESCCOC(=O)C1(O[Si](C)(C)C)C(=O)O[C@@H]([C@H](C)O)C1CO[Si](CC)(CC)CC
InChIInChI=1S/C19H38O7Si2/c1-9-23-17(21)19(26-27(6,7)8)15(16(14(5)20)25-18(19)22)13-24-28(10-2,11-3)12-4/h14-16,20H,9-13H2,1-8H3/t14-,15?,16-,19?/m0/s1
InChIKeyRUTFCNZNXFCKSJ-QCTRZYONSA-N
MW434.68 g/mol
LogP3.08
Rot. Bonds11

About ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate

ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate (PubChem CID 134944790) has the molecular formula C19H38O7Si2 and a molecular weight of 434.68 g/mol. Its IUPAC name is ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
PubChem CID134944790
Molecular FormulaC19H38O7Si2
Molecular Weight434.68 g/mol
Exact Mass434.22
IUPAC Nameethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
SMILESCCOC(=O)C1(O[Si](C)(C)C)C(=O)O[C@@H]([C@H](C)O)C1CO[Si](CC)(CC)CC
InChIInChI=1S/C19H38O7Si2/c1-9-23-17(21)19(26-27(6,7)8)15(16(14(5)20)25-18(19)22)13-24-28(10-2,11-3)12-4/h14-16,20H,9-13H2,1-8H3/t14-,15?,16-,19?/m0/s1
InChIKeyRUTFCNZNXFCKSJ-QCTRZYONSA-N
XLogP3.08
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580
(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
Diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
CID 134944757
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
(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
2-[(2S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methyloxolan-3-yl]acetic acid
CID 53833774
methyl (2S,3R,4S,5S)-2,3,4-trihydroxy-6-oxo-5,6-bis(trimethylsilyl)-5-trimethylsilyloxyhexanoate
CID 53910060
dimethyl (2S,3S)-2-[(3R,4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-5,5-dimethyldioxolan-3-yl]-2,3-dihydroxybutanedioate
CID 87261792
dimethyl (2R,3R)-2-[(3R,4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-5,5-dimethyldioxolan-3-yl]-2,3-dihydroxybutanedioate
CID 87261895

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate?
The IUPAC name of ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate (CID 134944790) is ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate.
What is the SMILES notation for ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate?
The canonical SMILES for ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate is CCOC(=O)C1(O[Si](C)(C)C)C(=O)O[C@@H]([C@H](C)O)C1CO[Si](CC)(CC)CC.
What is the InChIKey of ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate?
The InChIKey is RUTFCNZNXFCKSJ-QCTRZYONSA-N. The full InChI is InChI=1S/C19H38O7Si2/c1-9-23-17(21)19(26-27(6,7)8)15(16(14(5)20)25-18(19)22)13-24-28(10-2,11-3)12-4/h14-16,20H,9-13H2,1-8H3/t14-,15?,16-,19?/m0/s1.
What are the key properties of ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate?
ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate has a molecular weight of 434.68 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate is sourced from PubChem (CID 134944790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).