(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

C15H30O5Si — CID 71143018

IUPAC(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
SMILESC[C@@H]1C(O)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21
InChIInChI=1S/C15H30O5Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14,16H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1
InChIKeyAFEJAFKVOHTIOI-UUFIZFKYSA-N
MW318.49 g/mol
LogP2.21
Rot. Bonds4

About (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 71143018) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
PubChem CID71143018
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
SMILESC[C@@H]1C(O)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21
InChIInChI=1S/C15H30O5Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14,16H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1
InChIKeyAFEJAFKVOHTIOI-UUFIZFKYSA-N
XLogP2.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol (CID 71143018) is (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is C[C@@H]1C(O)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21.
What is the InChIKey of (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
The InChIKey is AFEJAFKVOHTIOI-UUFIZFKYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14,16H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1.
What are the key properties of (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol?
(6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 318.49 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,8aS)-2,2,8-trimethyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 71143018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).