(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one

C16H36O5Si3 — CID 58242501

IUPAC(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one
SMILESCC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-11-12-13(19-22(2,3)4)14(20-23(5,6)7)15(16(17)18-12)21-24(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeyOVOYHAMRYFEGNK-APIJFGDWSA-N
MW392.72 g/mol
LogP3.98
Rot. Bonds7

About (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one

(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one (PubChem CID 58242501) has the molecular formula C16H36O5Si3 and a molecular weight of 392.72 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one
PubChem CID58242501
Molecular FormulaC16H36O5Si3
Molecular Weight392.72 g/mol
Exact Mass392.19
IUPAC Name(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one
SMILESCC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-11-12-13(19-22(2,3)4)14(20-23(5,6)7)15(16(17)18-12)21-24(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeyOVOYHAMRYFEGNK-APIJFGDWSA-N
XLogP3.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-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,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one (CID 58242501) is (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one is CC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one?
The InChIKey is OVOYHAMRYFEGNK-APIJFGDWSA-N. The full InChI is InChI=1S/C16H36O5Si3/c1-11-12-13(19-22(2,3)4)14(20-23(5,6)7)15(16(17)18-12)21-24(8,9)10/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one?
(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one has a molecular weight of 392.72 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one is sourced from PubChem (CID 58242501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).