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

C25H54O5Si3 — CID 10839661

IUPAC(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-18-20(29-32(12,13)24(4,5)6)22(19-16-17-21(26)28-19)30-33(14,15)25(7,8)9/h19-20,22H,16-18H2,1-15H3/t19-,20-,22+/m1/s1
InChIKeyHEGURFZYBLIJIM-SJBKTWHCSA-N
MW518.96 g/mol
LogP7.49
Rot. Bonds9

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

(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one (PubChem CID 10839661) has the molecular formula C25H54O5Si3 and a molecular weight of 518.96 g/mol. Its IUPAC name is (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one
PubChem CID10839661
Molecular FormulaC25H54O5Si3
Molecular Weight518.96 g/mol
Exact Mass518.33
IUPAC Name(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1
InChIInChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-18-20(29-32(12,13)24(4,5)6)22(19-16-17-21(26)28-19)30-33(14,15)25(7,8)9/h19-20,22H,16-18H2,1-15H3/t19-,20-,22+/m1/s1
InChIKeyHEGURFZYBLIJIM-SJBKTWHCSA-N
XLogP7.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
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)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one (CID 10839661) is (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one?
The InChIKey is HEGURFZYBLIJIM-SJBKTWHCSA-N. The full InChI is InChI=1S/C25H54O5Si3/c1-23(2,3)31(10,11)27-18-20(29-32(12,13)24(4,5)6)22(19-16-17-21(26)28-19)30-33(14,15)25(7,8)9/h19-20,22H,16-18H2,1-15H3/t19-,20-,22+/m1/s1.
What are the key properties of (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one?
(5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one has a molecular weight of 518.96 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2R)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]oxolan-2-one is sourced from PubChem (CID 10839661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).