2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane

C15H29FO4Si — CID 71143021

IUPAC2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESC[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21
InChIInChI=1S/C15H29FO4Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1
InChIKeyBPFHWMBXDGLXBN-UUFIZFKYSA-N
MW320.48 g/mol
LogP3.19
Rot. Bonds4

About 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane

2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane (PubChem CID 71143021) has the molecular formula C15H29FO4Si and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
PubChem CID71143021
Molecular FormulaC15H29FO4Si
Molecular Weight320.48 g/mol
Exact Mass320.18
IUPAC Name2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESC[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21
InChIInChI=1S/C15H29FO4Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1
InChIKeyBPFHWMBXDGLXBN-UUFIZFKYSA-N
XLogP3.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane (CID 71143021) is 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane is C[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)OC2COC(C)(C)O[C@H]21.
What is the InChIKey of 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The InChIKey is BPFHWMBXDGLXBN-UUFIZFKYSA-N. The full InChI is InChI=1S/C15H29FO4Si/c1-10-12(16)14(17-7-8-21(4,5)6)19-11-9-18-15(2,3)20-13(10)11/h10-14H,7-9H2,1-6H3/t10-,11?,12?,13+,14-/m1/s1.
What are the key properties of 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane has a molecular weight of 320.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R,8S,8aS)-7-fluoro-2,2,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 71143021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).