(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one

C30H66O6Si4 — CID 11763588

IUPAC(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H66O6Si4/c1-13-37(14-2,15-3)32-25-26-27(34-38(16-4,17-5)18-6)28(35-39(19-7,20-8)21-9)29(30(31)33-26)36-40(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26-,27-,28+,29-/m1/s1
InChIKeyDFWVIFANXWWLOK-OVHUPFAXSA-N
MW635.20 g/mol
LogP9.10
Rot. Bonds21

About (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one

(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one (PubChem CID 11763588) has the molecular formula C30H66O6Si4 and a molecular weight of 635.20 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
PubChem CID11763588
Molecular FormulaC30H66O6Si4
Molecular Weight635.20 g/mol
Exact Mass634.39
IUPAC Name(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
SMILESCC[Si](CC)(CC)OC[C@H]1OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H66O6Si4/c1-13-37(14-2,15-3)32-25-26-27(34-38(16-4,17-5)18-6)28(35-39(19-7,20-8)21-9)29(30(31)33-26)36-40(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26-,27-,28+,29-/m1/s1
InChIKeyDFWVIFANXWWLOK-OVHUPFAXSA-N
XLogP9.10
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.20
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one (CID 11763588) is (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one is CC[Si](CC)(CC)OC[C@H]1OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The InChIKey is DFWVIFANXWWLOK-OVHUPFAXSA-N. The full InChI is InChI=1S/C30H66O6Si4/c1-13-37(14-2,15-3)32-25-26-27(34-38(16-4,17-5)18-6)28(35-39(19-7,20-8)21-9)29(30(31)33-26)36-40(22-10,23-11)24-12/h26-29H,13-25H2,1-12H3/t26-,27-,28+,29-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one has a molecular weight of 635.20 g/mol, XLogP of 9.10, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 11763588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).