(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one

C19H40O4Si2 — CID 58444201

IUPAC(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1OC(=O)[C@](C)(O[Si](CC)(CC)CC)[C@@H]1C
InChIInChI=1S/C19H40O4Si2/c1-9-24(10-2,11-3)21-15-17-16(7)19(8,18(20)22-17)23-25(12-4,13-5)14-6/h16-17H,9-15H2,1-8H3/t16-,17-,19-/m1/s1
InChIKeyNRYDKPKAHKRERS-ZHALLVOQSA-N
MW388.70 g/mol
LogP5.35
Rot. Bonds11

About (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one

(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one (PubChem CID 58444201) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one
PubChem CID58444201
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1OC(=O)[C@](C)(O[Si](CC)(CC)CC)[C@@H]1C
InChIInChI=1S/C19H40O4Si2/c1-9-24(10-2,11-3)21-15-17-16(7)19(8,18(20)22-17)23-25(12-4,13-5)14-6/h16-17H,9-15H2,1-8H3/t16-,17-,19-/m1/s1
InChIKeyNRYDKPKAHKRERS-ZHALLVOQSA-N
XLogP5.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.35
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 (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one (CID 58444201) is (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one is CC[Si](CC)(CC)OC[C@H]1OC(=O)[C@](C)(O[Si](CC)(CC)CC)[C@@H]1C.
What is the InChIKey of (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one?
The InChIKey is NRYDKPKAHKRERS-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-9-24(10-2,11-3)21-15-17-16(7)19(8,18(20)22-17)23-25(12-4,13-5)14-6/h16-17H,9-15H2,1-8H3/t16-,17-,19-/m1/s1.
What are the key properties of (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one?
(3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one has a molecular weight of 388.70 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4-dimethyl-3-triethylsilyloxy-5-(triethylsilyloxymethyl)oxolan-2-one is sourced from PubChem (CID 58444201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).