(6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

C36H78Cl2O12Si4 — CID 167634545

About (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol

(6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol (PubChem CID 167634545) has the molecular formula C36H78Cl2O12Si4 and a molecular weight of 886.26 g/mol. Its IUPAC name is (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol.

Molecular Properties

• Compound Name: (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
• PubChem CID: 167634545
• Molecular Formula: C36H78Cl2O12Si4
• Molecular Weight: 886.26 g/mol
• Exact Mass: 884.39
• IUPAC Name: (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
• SMILES: CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C.COC1O[C@H](CO)[C@@H](O)[C@H]1O.CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O
• InChI: InChI=1S/C18H38O6Si2.C12H28Cl2OSi2.C6H12O5/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8;1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8;1-10-6-5(9)4(8)3(2-7)11-6/h11-19H,10H2,1-9H3;9-12H,1-8H3;3-9H,2H2,1H3/t15-,16-,17-,18-;;3-,4-,5-,6?/m1.1/s1
• InChIKey: OHBDKFOHDYCRNV-XIMGIKKWSA-N
• XLogP: 7.75
• TPSA: 154.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.26
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?

The IUPAC name of (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol (CID 167634545) is (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol.

What is the SMILES notation for (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?

The canonical SMILES for (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol is CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C.COC1O[C@H](CO)[C@@H](O)[C@H]1O.CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1O.

What is the InChIKey of (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?

The InChIKey is OHBDKFOHDYCRNV-XIMGIKKWSA-N. The full InChI is InChI=1S/C18H38O6Si2.C12H28Cl2OSi2.C6H12O5/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8;1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8;1-10-6-5(9)4(8)3(2-7)11-6/h11-19H,10H2,1-9H3;9-12H,1-8H3;3-9H,2H2,1H3/t15-,16-,17-,18-;;3-,4-,5-,6?/m1.1/s1.

What are the key properties of (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol?

(6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol has a molecular weight of 886.26 g/mol, XLogP of 7.75, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 167634545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).