(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one

C27H40O4Si2 — CID 140856641

IUPAC(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C27H40O4Si2/c1-26(2,3)33(22-15-11-9-12-16-22,23-17-13-10-14-18-23)29-20-21-19-24(25(28)30-21)27(4,5)31-32(6,7)8/h9-18,21,24H,19-20H2,1-8H3/t21-,24+/m0/s1
InChIKeyZQQSPPUZEYADPN-XUZZJYLKSA-N
MW484.79 g/mol
LogP5.12
Rot. Bonds8

About (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one

(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one (PubChem CID 140856641) has the molecular formula C27H40O4Si2 and a molecular weight of 484.79 g/mol. Its IUPAC name is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
PubChem CID140856641
Molecular FormulaC27H40O4Si2
Molecular Weight484.79 g/mol
Exact Mass484.25
IUPAC Name(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C27H40O4Si2/c1-26(2,3)33(22-15-11-9-12-16-22,23-17-13-10-14-18-23)29-20-21-19-24(25(28)30-21)27(4,5)31-32(6,7)8/h9-18,21,24H,19-20H2,1-8H3/t21-,24+/m0/s1
InChIKeyZQQSPPUZEYADPN-XUZZJYLKSA-N
XLogP5.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.79
LogP ≤ 55.12
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 (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The IUPAC name of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one (CID 140856641) is (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The canonical SMILES for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one is CC(C)(O[Si](C)(C)C)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The InChIKey is ZQQSPPUZEYADPN-XUZZJYLKSA-N. The full InChI is InChI=1S/C27H40O4Si2/c1-26(2,3)33(22-15-11-9-12-16-22,23-17-13-10-14-18-23)29-20-21-19-24(25(28)30-21)27(4,5)31-32(6,7)8/h9-18,21,24H,19-20H2,1-8H3/t21-,24+/m0/s1.
What are the key properties of (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one has a molecular weight of 484.79 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one is sourced from PubChem (CID 140856641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).