(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one

C29H44O4Si2 — CID 71489605

IUPAC(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-24-21-23(32-27(30)22-24)19-20-31-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3/t23-,24-/m0/s1
InChIKeyIIQYZWLDJCGATP-ZEQRLZLVSA-N
MW512.84 g/mol
LogP6.05
Rot. Bonds8

About (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one

(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one (PubChem CID 71489605) has the molecular formula C29H44O4Si2 and a molecular weight of 512.84 g/mol. Its IUPAC name is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one
PubChem CID71489605
Molecular FormulaC29H44O4Si2
Molecular Weight512.84 g/mol
Exact Mass512.28
IUPAC Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-24-21-23(32-27(30)22-24)19-20-31-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3/t23-,24-/m0/s1
InChIKeyIIQYZWLDJCGATP-ZEQRLZLVSA-N
XLogP6.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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 (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one?
The IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one (CID 71489605) is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one.
What is the SMILES notation for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one?
The canonical SMILES for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)O[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one?
The InChIKey is IIQYZWLDJCGATP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C29H44O4Si2/c1-28(2,3)34(7,8)33-24-21-23(32-27(30)22-24)19-20-31-35(29(4,5)6,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,23-24H,19-22H2,1-8H3/t23-,24-/m0/s1.
What are the key properties of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one?
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one has a molecular weight of 512.84 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-2-one is sourced from PubChem (CID 71489605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).