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

C30H66O6Si4 — CID 134842430

IUPAC(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
SMILESCC[Si](CC)(CC)OCC1OC(=O)C(O[Si](CC)(CC)CC)C(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-YGSKOOTNSA-N
MW635.20 g/mol
LogP9.10
Rot. Bonds21

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

(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one (PubChem CID 134842430) has the molecular formula C30H66O6Si4 and a molecular weight of 635.20 g/mol. Its IUPAC name is (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
PubChem CID134842430
Molecular FormulaC30H66O6Si4
Molecular Weight635.20 g/mol
Exact Mass634.39
IUPAC Name(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
SMILESCC[Si](CC)(CC)OCC1OC(=O)C(O[Si](CC)(CC)CC)C(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-YGSKOOTNSA-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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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
D-Glucuronic acid, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 521649
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Saccharic acid, TMS # 1
CID 523400

Frequently Asked Questions

What is the IUPAC name of (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The IUPAC name of (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one (CID 134842430) is (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one is CC[Si](CC)(CC)OCC1OC(=O)C(O[Si](CC)(CC)CC)C(O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
The InChIKey is DFWVIFANXWWLOK-YGSKOOTNSA-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 (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one?
(5R)-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 (5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 134842430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).