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

C14H30O4Si2 — CID 58133497

IUPAC(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(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]1C
InChIInChI=1S/C14H30O4Si2/c1-9-11-10(2)12(17-19(3,4)5)13(14(15)16-11)18-20(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1
InChIKeySLYPBYASNVIUAH-FVCCEPFGSA-N
MW318.56 g/mol
LogP3.40
Rot. Bonds5

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

(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one (PubChem CID 58133497) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one
PubChem CID58133497
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Name(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(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]1C
InChIInChI=1S/C14H30O4Si2/c1-9-11-10(2)12(17-19(3,4)5)13(14(15)16-11)18-20(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1
InChIKeySLYPBYASNVIUAH-FVCCEPFGSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.40
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,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one (CID 58133497) is (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(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]1C.
What is the InChIKey of (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
The InChIKey is SLYPBYASNVIUAH-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-9-11-10(2)12(17-19(3,4)5)13(14(15)16-11)18-20(6,7)8/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one?
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one has a molecular weight of 318.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one is sourced from PubChem (CID 58133497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).