2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane

C18H17F21O3Si — CID 175157639

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane
SMILESCOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC[Si]1(OC)OC
InChIInChI=1S/C18H17F21O3Si/c1-40-8(6-4-5-7-43(8,41-2)42-3)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-7H2,1-3H3
InChIKeyBFYQMFFPACETAU-UHFFFAOYSA-N
MW708.37 g/mol
LogP8.11
Rot. Bonds12

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane (PubChem CID 175157639) has the molecular formula C18H17F21O3Si and a molecular weight of 708.37 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane
PubChem CID175157639
Molecular FormulaC18H17F21O3Si
Molecular Weight708.37 g/mol
Exact Mass708.06
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane
SMILESCOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC[Si]1(OC)OC
InChIInChI=1S/C18H17F21O3Si/c1-40-8(6-4-5-7-43(8,41-2)42-3)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-7H2,1-3H3
InChIKeyBFYQMFFPACETAU-UHFFFAOYSA-N
XLogP8.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.37
LogP ≤ 58.11
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'}

Analyze 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane (CID 175157639) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane is COC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane?
The InChIKey is BFYQMFFPACETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F21O3Si/c1-40-8(6-4-5-7-43(8,41-2)42-3)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-7H2,1-3H3.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane has a molecular weight of 708.37 g/mol, XLogP of 8.11, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1,1,2-trimethoxysilinane is sourced from PubChem (CID 175157639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).