[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

C15H18F12O3Si — CID 102095377

IUPAC[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
SMILESCOC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H18F12O3Si/c1-28-8-5-7(30-31(2,3)4)6-29-9(8)11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h5,8-10H,6H2,1-4H3
InChIKeyFZLWWOIUSQNUAP-UHFFFAOYSA-N
MW502.37 g/mol
LogP5.58
Rot. Bonds9

About [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

[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 (PubChem CID 102095377) has the molecular formula C15H18F12O3Si and a molecular weight of 502.37 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID102095377
Molecular FormulaC15H18F12O3Si
Molecular Weight502.37 g/mol
Exact Mass502.08
IUPAC Name[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
SMILESCOC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H18F12O3Si/c1-28-8-5-7(30-31(2,3)4)6-29-9(8)11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h5,8-10H,6H2,1-4H3
InChIKeyFZLWWOIUSQNUAP-UHFFFAOYSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.37
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COC1C=C(O[Si](C)(C)C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of [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?
The InChIKey is FZLWWOIUSQNUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F12O3Si/c1-28-8-5-7(30-31(2,3)4)6-29-9(8)11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16)17/h5,8-10H,6H2,1-4H3.
What are the key properties of [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?
[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 has a molecular weight of 502.37 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 102095377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).