(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one

C15H28O5Si — CID 10990728

IUPAC(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one
SMILESCC(=O)[C@H](O)[C@]1(C)OC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-9-12(20-21(7,8)14(3,4)5)15(6,19-13(9)18)11(17)10(2)16/h9,11-12,17H,1-8H3/t9-,11+,12-,15+/m1/s1
InChIKeyMFIPXEMZTOUMDW-FQMFCJFBSA-N
MW316.47 g/mol
LogP2.28
Rot. Bonds4

About (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one

(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one (PubChem CID 10990728) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one
PubChem CID10990728
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one
SMILESCC(=O)[C@H](O)[C@]1(C)OC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O5Si/c1-9-12(20-21(7,8)14(3,4)5)15(6,19-13(9)18)11(17)10(2)16/h9,11-12,17H,1-8H3/t9-,11+,12-,15+/m1/s1
InChIKeyMFIPXEMZTOUMDW-FQMFCJFBSA-N
XLogP2.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one (CID 10990728) is (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one is CC(=O)[C@H](O)[C@]1(C)OC(=O)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one?
The InChIKey is MFIPXEMZTOUMDW-FQMFCJFBSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-9-12(20-21(7,8)14(3,4)5)15(6,19-13(9)18)11(17)10(2)16/h9,11-12,17H,1-8H3/t9-,11+,12-,15+/m1/s1.
What are the key properties of (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one?
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one has a molecular weight of 316.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 10990728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).