(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one

C28H40O9Si — CID 134831831

IUPAC(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one
SMILESCOCOC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)C1OCOC
InChIInChI=1S/C28H40O9Si/c1-28(2,3)38(21-13-9-7-10-14-21,22-15-11-8-12-16-22)36-17-23-24(33-18-30-4)25(34-19-31-5)26(27(29)37-23)35-20-32-6/h7-16,23-26H,17-20H2,1-6H3/t23?,24-,25?,26?/m1/s1
InChIKeyKZIYYNRDALXFAL-UFUNBNSISA-N
MW548.71 g/mol
LogP2.46
Rot. Bonds14

About (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one

(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one (PubChem CID 134831831) has the molecular formula C28H40O9Si and a molecular weight of 548.71 g/mol. Its IUPAC name is (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one.

Molecular Properties

Compound Name(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one
PubChem CID134831831
Molecular FormulaC28H40O9Si
Molecular Weight548.71 g/mol
Exact Mass548.24
IUPAC Name(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one
SMILESCOCOC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)C1OCOC
InChIInChI=1S/C28H40O9Si/c1-28(2,3)38(21-13-9-7-10-14-21,22-15-11-8-12-16-22)36-17-23-24(33-18-30-4)25(34-19-31-5)26(27(29)37-23)35-20-32-6/h7-16,23-26H,17-20H2,1-6H3/t23?,24-,25?,26?/m1/s1
InChIKeyKZIYYNRDALXFAL-UFUNBNSISA-N
XLogP2.46
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one?
The IUPAC name of (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one (CID 134831831) is (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one.
What is the SMILES notation for (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one?
The canonical SMILES for (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one is COCOC1C(=O)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)C1OCOC.
What is the InChIKey of (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one?
The InChIKey is KZIYYNRDALXFAL-UFUNBNSISA-N. The full InChI is InChI=1S/C28H40O9Si/c1-28(2,3)38(21-13-9-7-10-14-21,22-15-11-8-12-16-22)36-17-23-24(33-18-30-4)25(34-19-31-5)26(27(29)37-23)35-20-32-6/h7-16,23-26H,17-20H2,1-6H3/t23?,24-,25?,26?/m1/s1.
What are the key properties of (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one?
(5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one has a molecular weight of 548.71 g/mol, XLogP of 2.46, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(methoxymethoxy)oxan-2-one is sourced from PubChem (CID 134831831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).