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

C18H35FO6Si — CID 71143369

IUPAC2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESCCOCCO[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)O[C@@H]2COC(C)(C)O[C@H]12
InChIInChI=1S/C18H35FO6Si/c1-7-20-8-9-21-16-14(19)17(22-10-11-26(4,5)6)24-13-12-23-18(2,3)25-15(13)16/h13-17H,7-12H2,1-6H3/t13-,14?,15+,16-,17-/m1/s1
InChIKeyXELLANKLCDDRGV-DLWDUGJOSA-N
MW394.56 g/mol
LogP2.98
Rot. Bonds9

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

2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane (PubChem CID 71143369) has the molecular formula C18H35FO6Si and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
PubChem CID71143369
Molecular FormulaC18H35FO6Si
Molecular Weight394.56 g/mol
Exact Mass394.22
IUPAC Name2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESCCOCCO[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)O[C@@H]2COC(C)(C)O[C@H]12
InChIInChI=1S/C18H35FO6Si/c1-7-20-8-9-21-16-14(19)17(22-10-11-26(4,5)6)24-13-12-23-18(2,3)25-15(13)16/h13-17H,7-12H2,1-6H3/t13-,14?,15+,16-,17-/m1/s1
InChIKeyXELLANKLCDDRGV-DLWDUGJOSA-N
XLogP2.98
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-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-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane (CID 71143369) is 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-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-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane is CCOCCO[C@@H]1C(F)[C@H](OCC[Si](C)(C)C)O[C@@H]2COC(C)(C)O[C@H]12.
What is the InChIKey of 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
The InChIKey is XELLANKLCDDRGV-DLWDUGJOSA-N. The full InChI is InChI=1S/C18H35FO6Si/c1-7-20-8-9-21-16-14(19)17(22-10-11-26(4,5)6)24-13-12-23-18(2,3)25-15(13)16/h13-17H,7-12H2,1-6H3/t13-,14?,15+,16-,17-/m1/s1.
What are the key properties of 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane?
2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane has a molecular weight of 394.56 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR,6R,8S,8aS)-8-(2-ethoxyethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 71143369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).