(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane

C11H13F13OSi — CID 173346529

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(C)O[SiH3]
InChIInChI=1S/C11H13F13OSi/c1-4(12)6(13,14)8(17,18)10(21,22)11(23,24)9(19,20)7(15,16)5(2,3)25-26/h4H,1-3,26H3
InChIKeyUVEWMKPPSVMCNN-UHFFFAOYSA-N
MW436.28 g/mol
LogP4.23
Rot. Bonds8

About (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane

(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane (PubChem CID 173346529) has the molecular formula C11H13F13OSi and a molecular weight of 436.28 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane
PubChem CID173346529
Molecular FormulaC11H13F13OSi
Molecular Weight436.28 g/mol
Exact Mass436.05
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(C)O[SiH3]
InChIInChI=1S/C11H13F13OSi/c1-4(12)6(13,14)8(17,18)10(21,22)11(23,24)9(19,20)7(15,16)5(2,3)25-26/h4H,1-3,26H3
InChIKeyUVEWMKPPSVMCNN-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 54.23
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 (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane (CID 173346529) is (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(C)O[SiH3].
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The InChIKey is UVEWMKPPSVMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F13OSi/c1-4(12)6(13,14)8(17,18)10(21,22)11(23,24)9(19,20)7(15,16)5(2,3)25-26/h4H,1-3,26H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane?
(3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane has a molecular weight of 436.28 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoro-2-methyldecan-2-yl)oxysilane is sourced from PubChem (CID 173346529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).