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

C15H34O4Si3 — CID 58343630

IUPAC(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)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]1[Si](C)(C)C
InChIInChI=1S/C15H34O4Si3/c1-11-12(18-21(5,6)7)13(19-22(8,9)10)14(16)17-15(11)20(2,3)4/h11-13,15H,1-10H3/t11-,12-,13+,15+/m0/s1
InChIKeyGTOODQUEIHAGEB-RMRHIDDWSA-N
MW362.69 g/mol
LogP3.87
Rot. Bonds5

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

(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one (PubChem CID 58343630) has the molecular formula C15H34O4Si3 and a molecular weight of 362.69 g/mol. Its IUPAC name is (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one
PubChem CID58343630
Molecular FormulaC15H34O4Si3
Molecular Weight362.69 g/mol
Exact Mass362.18
IUPAC Name(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)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]1[Si](C)(C)C
InChIInChI=1S/C15H34O4Si3/c1-11-12(18-21(5,6)7)13(19-22(8,9)10)14(16)17-15(11)20(2,3)4/h11-13,15H,1-10H3/t11-,12-,13+,15+/m0/s1
InChIKeyGTOODQUEIHAGEB-RMRHIDDWSA-N
XLogP3.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.69
LogP ≤ 53.87
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,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The IUPAC name of (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one (CID 58343630) is (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one.
What is the SMILES notation for (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The canonical SMILES for (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)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]1[Si](C)(C)C.
What is the InChIKey of (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The InChIKey is GTOODQUEIHAGEB-RMRHIDDWSA-N. The full InChI is InChI=1S/C15H34O4Si3/c1-11-12(18-21(5,6)7)13(19-22(8,9)10)14(16)17-15(11)20(2,3)4/h11-13,15H,1-10H3/t11-,12-,13+,15+/m0/s1.
What are the key properties of (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one has a molecular weight of 362.69 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one is sourced from PubChem (CID 58343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).