(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane

C13H13F17OSi — CID 173228702

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane
SMILESCC(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(C)(C)O[SiH3]
InChIInChI=1S/C13H13F17OSi/c1-4(14)6(15,16)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)5(2,3)31-32/h4H,1-3,32H3
InChIKeyBIYPYUOYWAFSTK-UHFFFAOYSA-N
MW536.30 g/mol
LogP5.50
Rot. Bonds10

About (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane

(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane (PubChem CID 173228702) has the molecular formula C13H13F17OSi and a molecular weight of 536.30 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane
PubChem CID173228702
Molecular FormulaC13H13F17OSi
Molecular Weight536.30 g/mol
Exact Mass536.05
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane
SMILESCC(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(C)(C)O[SiH3]
InChIInChI=1S/C13H13F17OSi/c1-4(14)6(15,16)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)5(2,3)31-32/h4H,1-3,32H3
InChIKeyBIYPYUOYWAFSTK-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.30
LogP ≤ 55.50
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 (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane (CID 173228702) is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-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(F)(F)C(F)(F)C(C)(C)O[SiH3].
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane?
The InChIKey is BIYPYUOYWAFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F17OSi/c1-4(14)6(15,16)8(19,20)10(23,24)12(27,28)13(29,30)11(25,26)9(21,22)7(17,18)5(2,3)31-32/h4H,1-3,32H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane?
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane has a molecular weight of 536.30 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-heptadecafluoro-2-methyldodecan-2-yl)oxysilane is sourced from PubChem (CID 173228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).