(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

C24H42O5Si2 — CID 5271318

IUPAC(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESCO[C@H]1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]2O[C@@H]1c1ccccc1
InChIInChI=1S/C24H42O5Si2/c1-16(2)30(17(3)4)26-15-21-23(28-31(29-30,18(5)6)19(7)8)24(25-9)22(27-21)20-13-11-10-12-14-20/h10-14,16-19,21-24H,15H2,1-9H3/t21-,22+,23-,24+/m0/s1
InChIKeyGLMCDPHZYLGOAQ-UARRHKHWSA-N
MW466.77 g/mol
LogP6.10
Rot. Bonds6

About (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (PubChem CID 5271318) has the molecular formula C24H42O5Si2 and a molecular weight of 466.77 g/mol. Its IUPAC name is (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.

Molecular Properties

Compound Name(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
PubChem CID5271318
Molecular FormulaC24H42O5Si2
Molecular Weight466.77 g/mol
Exact Mass466.26
IUPAC Name(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESCO[C@H]1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]2O[C@@H]1c1ccccc1
InChIInChI=1S/C24H42O5Si2/c1-16(2)30(17(3)4)26-15-21-23(28-31(29-30,18(5)6)19(7)8)24(25-9)22(27-21)20-13-11-10-12-14-20/h10-14,16-19,21-24H,15H2,1-9H3/t21-,22+,23-,24+/m0/s1
InChIKeyGLMCDPHZYLGOAQ-UARRHKHWSA-N
XLogP6.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.77
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The IUPAC name of (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (CID 5271318) is (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.
What is the SMILES notation for (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The canonical SMILES for (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is CO[C@H]1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@@H]2O[C@@H]1c1ccccc1.
What is the InChIKey of (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The InChIKey is GLMCDPHZYLGOAQ-UARRHKHWSA-N. The full InChI is InChI=1S/C24H42O5Si2/c1-16(2)30(17(3)4)26-15-21-23(28-31(29-30,18(5)6)19(7)8)24(25-9)22(27-21)20-13-11-10-12-14-20/h10-14,16-19,21-24H,15H2,1-9H3/t21-,22+,23-,24+/m0/s1.
What are the key properties of (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
(6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine has a molecular weight of 466.77 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,8R,9R,9aS)-9-methoxy-8-phenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is sourced from PubChem (CID 5271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).