2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane

C15H15F17OSi — CID 88515503

IUPAC2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane
SMILESC[Si]1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCCCO1
InChIInChI=1S/C15H15F17OSi/c1-34(5-3-2-4-33-34)9(20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)7(17)6(16)8(18)19/h6-9H,2-5H2,1H3
InChIKeyVGRWYYFCMYSFEO-UHFFFAOYSA-N
MW562.34 g/mol
LogP7.00
Rot. Bonds10

About 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane

2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane (PubChem CID 88515503) has the molecular formula C15H15F17OSi and a molecular weight of 562.34 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane
PubChem CID88515503
Molecular FormulaC15H15F17OSi
Molecular Weight562.34 g/mol
Exact Mass562.06
IUPAC Name2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane
SMILESC[Si]1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCCCO1
InChIInChI=1S/C15H15F17OSi/c1-34(5-3-2-4-33-34)9(20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)7(17)6(16)8(18)19/h6-9H,2-5H2,1H3
InChIKeyVGRWYYFCMYSFEO-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.34
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane?
The IUPAC name of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane (CID 88515503) is 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane is C[Si]1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCCCO1.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane?
The InChIKey is VGRWYYFCMYSFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F17OSi/c1-34(5-3-2-4-33-34)9(20)11(23,24)13(27,28)15(31,32)14(29,30)12(25,26)10(21,22)7(17)6(16)8(18)19/h6-9H,2-5H2,1H3.
What are the key properties of 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane?
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane has a molecular weight of 562.34 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2-methyloxasilinane is sourced from PubChem (CID 88515503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).