(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

C16H36O5Si3 — CID 59715764

IUPAC(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESC[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1CO[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-12-13(11-18-22(2,3)4)19-16(17)15(21-24(8,9)10)14(12)20-23(5,6)7/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeySGHYAWKRJYUZIT-APIJFGDWSA-N
MW392.72 g/mol
LogP3.84
Rot. Bonds7

About (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (PubChem CID 59715764) has the molecular formula C16H36O5Si3 and a molecular weight of 392.72 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
PubChem CID59715764
Molecular FormulaC16H36O5Si3
Molecular Weight392.72 g/mol
Exact Mass392.19
IUPAC Name(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESC[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1CO[Si](C)(C)C
InChIInChI=1S/C16H36O5Si3/c1-12-13(11-18-22(2,3)4)19-16(17)15(21-24(8,9)10)14(12)20-23(5,6)7/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1
InChIKeySGHYAWKRJYUZIT-APIJFGDWSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (CID 59715764) is (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is C[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[C@@H]1CO[Si](C)(C)C.
What is the InChIKey of (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The InChIKey is SGHYAWKRJYUZIT-APIJFGDWSA-N. The full InChI is InChI=1S/C16H36O5Si3/c1-12-13(11-18-22(2,3)4)19-16(17)15(21-24(8,9)10)14(12)20-23(5,6)7/h12-15H,11H2,1-10H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
(3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one has a molecular weight of 392.72 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5-methyl-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 59715764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).