(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one

C15H34O5Si3 — CID 6427167

IUPAC(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one
SMILESCC(O[Si](C)(C)C)[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-11(18-21(2,3)4)12-13(19-22(5,6)7)14(15(16)17-12)20-23(8,9)10/h11-14H,1-10H3/t11?,12-,13+,14-/m1/s1
InChIKeyJXJGXPUBTGYERO-WTUNAVPPSA-N
MW378.69 g/mol
LogP3.59
Rot. Bonds7

About (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one

(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one (PubChem CID 6427167) has the molecular formula C15H34O5Si3 and a molecular weight of 378.69 g/mol. Its IUPAC name is (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one
PubChem CID6427167
Molecular FormulaC15H34O5Si3
Molecular Weight378.69 g/mol
Exact Mass378.17
IUPAC Name(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one
SMILESCC(O[Si](C)(C)C)[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C15H34O5Si3/c1-11(18-21(2,3)4)12-13(19-22(5,6)7)14(15(16)17-12)20-23(8,9)10/h11-14H,1-10H3/t11?,12-,13+,14-/m1/s1
InChIKeyJXJGXPUBTGYERO-WTUNAVPPSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
2-C-Methylribonic acid, 1,4-lactone, TMS
CID 91064241
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The IUPAC name of (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one (CID 6427167) is (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The canonical SMILES for (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one is CC(O[Si](C)(C)C)[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
The InChIKey is JXJGXPUBTGYERO-WTUNAVPPSA-N. The full InChI is InChI=1S/C15H34O5Si3/c1-11(18-21(2,3)4)12-13(19-22(5,6)7)14(15(16)17-12)20-23(8,9)10/h11-14H,1-10H3/t11?,12-,13+,14-/m1/s1.
What are the key properties of (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one?
(3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one has a molecular weight of 378.69 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4-bis(trimethylsilyloxy)-5-(1-trimethylsilyloxyethyl)oxolan-2-one is sourced from PubChem (CID 6427167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).