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

C24H31FO3Si — CID 131737113

IUPAC(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one
SMILESCC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C24H31FO3Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(22(26)28-18)24(4,5)25/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m0/s1
InChIKeyXGVPTAMUXINAAH-GHTZIAJQSA-N
MW414.59 g/mol
LogP4.24
Rot. Bonds6

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

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one (PubChem CID 131737113) has the molecular formula C24H31FO3Si and a molecular weight of 414.59 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one
PubChem CID131737113
Molecular FormulaC24H31FO3Si
Molecular Weight414.59 g/mol
Exact Mass414.20
IUPAC Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one
SMILESCC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C24H31FO3Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(22(26)28-18)24(4,5)25/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m0/s1
InChIKeyXGVPTAMUXINAAH-GHTZIAJQSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one (CID 131737113) is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one is CC(C)(F)[C@@H]1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one?
The InChIKey is XGVPTAMUXINAAH-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H31FO3Si/c1-23(2,3)29(19-12-8-6-9-13-19,20-14-10-7-11-15-20)27-17-18-16-21(22(26)28-18)24(4,5)25/h6-15,18,21H,16-17H2,1-5H3/t18-,21+/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one?
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one has a molecular weight of 414.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-fluoropropan-2-yl)oxolan-2-one is sourced from PubChem (CID 131737113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).