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

C17H33FO6Si — CID 89303318

IUPAC2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESCCOCO[C@@H]1[C@@H](F)[C@H](OCC[Si](C)(C)C)O[C@@H]2COC(C)(C)O[C@@H]12
InChIInChI=1S/C17H33FO6Si/c1-7-19-11-21-15-13(18)16(20-8-9-25(4,5)6)23-12-10-22-17(2,3)24-14(12)15/h12-16H,7-11H2,1-6H3/t12-,13-,14-,15-,16-/m1/s1
InChIKeyXNFKXPNYQGICGA-OXGONZEZSA-N
MW380.53 g/mol
LogP2.93
Rot. Bonds8

About 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-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 89303318) has the molecular formula C17H33FO6Si and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
PubChem CID89303318
Molecular FormulaC17H33FO6Si
Molecular Weight380.53 g/mol
Exact Mass380.20
IUPAC Name2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane
SMILESCCOCO[C@@H]1[C@@H](F)[C@H](OCC[Si](C)(C)C)O[C@@H]2COC(C)(C)O[C@@H]12
InChIInChI=1S/C17H33FO6Si/c1-7-19-11-21-15-13(18)16(20-8-9-25(4,5)6)23-12-10-22-17(2,3)24-14(12)15/h12-16H,7-11H2,1-6H3/t12-,13-,14-,15-,16-/m1/s1
InChIKeyXNFKXPNYQGICGA-OXGONZEZSA-N
XLogP2.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.93
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane (CID 89303318) is 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-7-fluoro-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]ethyl-trimethylsilane is CCOCO[C@@H]1[C@@H](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,7R,8S,8aR)-8-(ethoxymethoxy)-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 XNFKXPNYQGICGA-OXGONZEZSA-N. The full InChI is InChI=1S/C17H33FO6Si/c1-7-19-11-21-15-13(18)16(20-8-9-25(4,5)6)23-12-10-22-17(2,3)24-14(12)15/h12-16H,7-11H2,1-6H3/t12-,13-,14-,15-,16-/m1/s1.
What are the key properties of 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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,7R,8S,8aR)-8-(ethoxymethoxy)-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 380.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aR,6R,7R,8S,8aR)-8-(ethoxymethoxy)-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 89303318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).