(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one

C25H54O5Si3 — CID 10962366

IUPAC(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C25H54O5Si3/c1-12-32(13-2,14-3)27-20-22(29-33(15-4,16-5)17-6)24(21-18-19-23(26)28-21)30-31(10,11)25(7,8)9/h21-22,24H,12-20H2,1-11H3/t21-,22-,24+/m1/s1
InChIKeyOMAKPYOWORAGMH-AKFKNWHVSA-N
MW518.96 g/mol
LogP7.49
Rot. Bonds15

About (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one

(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one (PubChem CID 10962366) has the molecular formula C25H54O5Si3 and a molecular weight of 518.96 g/mol. Its IUPAC name is (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one
PubChem CID10962366
Molecular FormulaC25H54O5Si3
Molecular Weight518.96 g/mol
Exact Mass518.33
IUPAC Name(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one
SMILESCC[Si](CC)(CC)OC[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C25H54O5Si3/c1-12-32(13-2,14-3)27-20-22(29-33(15-4,16-5)17-6)24(21-18-19-23(26)28-21)30-31(10,11)25(7,8)9/h21-22,24H,12-20H2,1-11H3/t21-,22-,24+/m1/s1
InChIKeyOMAKPYOWORAGMH-AKFKNWHVSA-N
XLogP7.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one (CID 10962366) is (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one is CC[Si](CC)(CC)OC[C@@H](O[Si](CC)(CC)CC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one?
The InChIKey is OMAKPYOWORAGMH-AKFKNWHVSA-N. The full InChI is InChI=1S/C25H54O5Si3/c1-12-32(13-2,14-3)27-20-22(29-33(15-4,16-5)17-6)24(21-18-19-23(26)28-21)30-31(10,11)25(7,8)9/h21-22,24H,12-20H2,1-11H3/t21-,22-,24+/m1/s1.
What are the key properties of (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one?
(5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one has a molecular weight of 518.96 g/mol, XLogP of 7.49, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-bis(triethylsilyloxy)propyl]oxolan-2-one is sourced from PubChem (CID 10962366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).