(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one

C29H44O4Si2 — CID 71523783

IUPAC(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-26(25-19-20-27(30)32-25)21-22-31-35(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3/t25-,26-/m0/s1
InChIKeyKSTMOEBIAZOUAY-UIOOFZCWSA-N
MW512.84 g/mol
LogP6.05
Rot. Bonds9

About (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one

(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one (PubChem CID 71523783) has the molecular formula C29H44O4Si2 and a molecular weight of 512.84 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
PubChem CID71523783
Molecular FormulaC29H44O4Si2
Molecular Weight512.84 g/mol
Exact Mass512.28
IUPAC Name(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-26(25-19-20-27(30)32-25)21-22-31-35(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3/t25-,26-/m0/s1
InChIKeyKSTMOEBIAZOUAY-UIOOFZCWSA-N
XLogP6.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one (CID 71523783) is (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one?
The InChIKey is KSTMOEBIAZOUAY-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-26(25-19-20-27(30)32-25)21-22-31-35(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-26H,19-22H2,1-8H3/t25-,26-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one?
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one has a molecular weight of 512.84 g/mol, XLogP of 6.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one is sourced from PubChem (CID 71523783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).