[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane

C13H18F8O3Si — CID 15321293

IUPAC[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H18F8O3Si/c1-22-8-5-7(24-25(2,3)4)6-23-9(8)11(16,17)13(20,21)12(18,19)10(14)15/h5,8-10H,6H2,1-4H3
InChIKeyOFPNXQLNMWDXCW-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.31
Rot. Bonds7

About [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane

[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane (PubChem CID 15321293) has the molecular formula C13H18F8O3Si and a molecular weight of 402.35 g/mol. Its IUPAC name is [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane
PubChem CID15321293
Molecular FormulaC13H18F8O3Si
Molecular Weight402.35 g/mol
Exact Mass402.09
IUPAC Name[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane
SMILESCOC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H18F8O3Si/c1-22-8-5-7(24-25(2,3)4)6-23-9(8)11(16,17)13(20,21)12(18,19)10(14)15/h5,8-10H,6H2,1-4H3
InChIKeyOFPNXQLNMWDXCW-UHFFFAOYSA-N
XLogP4.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-3-methoxy-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane
CID 102095377
1-Trimethylsilyloxy-6-(s)-methoxy-1-cyclohexene
CID 10987281
(6-Methoxycyclohexen-1-yl)oxy-trimethylsilane
CID 12476675
[(6R)-6-methoxycyclohexen-1-yl]oxy-trimethylsilane
CID 101698761

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane?
The IUPAC name of [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane (CID 15321293) is [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane?
The canonical SMILES for [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane is COC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane?
The InChIKey is OFPNXQLNMWDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F8O3Si/c1-22-8-5-7(24-25(2,3)4)6-23-9(8)11(16,17)13(20,21)12(18,19)10(14)15/h5,8-10H,6H2,1-4H3.
What are the key properties of [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane?
[3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane has a molecular weight of 402.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 15321293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).