(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane

C12H15F13OSi — CID 173249365

IUPAC(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
SMILESCC(C)(CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)O[SiH3]
InChIInChI=1S/C12H15F13OSi/c1-8(2,26-27)3-4(13)9(18,19)11(22,23)12(24,25)10(20,21)6(15)5(14)7(16)17/h4-7H,3H2,1-2,27H3
InChIKeyKRUYLHZFKWAFJI-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.27
Rot. Bonds10

About (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane

(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane (PubChem CID 173249365) has the molecular formula C12H15F13OSi and a molecular weight of 450.31 g/mol. Its IUPAC name is (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane.

Molecular Properties

Compound Name(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
PubChem CID173249365
Molecular FormulaC12H15F13OSi
Molecular Weight450.31 g/mol
Exact Mass450.07
IUPAC Name(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
SMILESCC(C)(CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)O[SiH3]
InChIInChI=1S/C12H15F13OSi/c1-8(2,26-27)3-4(13)9(18,19)11(22,23)12(24,25)10(20,21)6(15)5(14)7(16)17/h4-7H,3H2,1-2,27H3
InChIKeyKRUYLHZFKWAFJI-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.27
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'}

Analyze (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane with MolForge

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Related Compounds

[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-Tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane
CID 173160303
(3,4,4,5,5,6,6,7,7,8,9,10,10-Tridecafluoro-2-methyldecan-2-yl)oxysilane
CID 173221085
(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
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-3-methylundecan-2-yl)oxysilane
CID 173312369
(3,3,4,4,5,5,6,6,7,7,8,8,9-Tridecafluoro-2-methyldecan-2-yl)oxysilane
CID 173346529
[4-(1,2,2,3,3,4,4-Heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane
CID 173394999
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-2-methyloctoxy)silane
CID 173476618
(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-3-methylnonan-2-yl)oxysilane
CID 173718311
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluoro-2-methyldodecan-2-yl)oxysilane
CID 175007606
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecan-2-yl)oxysilane
CID 175012765
(4,5,5,6,6,7,8,9,9-Nonafluoro-2,3-dimethylnonan-2-yl)oxysilane
CID 175203408
(5,6,7,8,9,10,13-Heptafluoro-2,3-dimethyltridecan-2-yl)oxysilane
CID 175211415

Frequently Asked Questions

What is the IUPAC name of (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?
The IUPAC name of (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane (CID 173249365) is (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane.
What is the SMILES notation for (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?
The canonical SMILES for (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane is CC(C)(CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)O[SiH3].
What is the InChIKey of (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?
The InChIKey is KRUYLHZFKWAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13OSi/c1-8(2,26-27)3-4(13)9(18,19)11(22,23)12(24,25)10(20,21)6(15)5(14)7(16)17/h4-7H,3H2,1-2,27H3.
What are the key properties of (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane?
(4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane has a molecular weight of 450.31 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,5,6,6,7,7,8,8,9,10,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane is sourced from PubChem (CID 173249365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).