(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

C13H9F21OSi — CID 175007606

IUPAC(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
SMILESCC(C)(O[SiH3])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
InChIInChI=1S/C13H9F21OSi/c1-3(2,35-36)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2,36H3
InChIKeyCAXXJRCVQJYVNM-UHFFFAOYSA-N
MW608.26 g/mol
LogP6.34
Rot. Bonds10

About (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

(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 (PubChem CID 175007606) has the molecular formula C13H9F21OSi and a molecular weight of 608.26 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175007606
Molecular FormulaC13H9F21OSi
Molecular Weight608.26 g/mol
Exact Mass608.01
IUPAC Name(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
SMILESCC(C)(O[SiH3])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
InChIInChI=1S/C13H9F21OSi/c1-3(2,35-36)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2,36H3
InChIKeyCAXXJRCVQJYVNM-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.26
LogP ≤ 56.34
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 (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluoro-2-methyldodecan-2-yl)oxysilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluoro-2-methyldodecan-2-yl)oxysilane (CID 175007606) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(O[SiH3])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.
What is the InChIKey of (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?
The InChIKey is CAXXJRCVQJYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F21OSi/c1-3(2,35-36)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2,36H3.
What are the key properties of (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?
(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 has a molecular weight of 608.26 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluoro-2-methyldodecan-2-yl)oxysilane is sourced from PubChem (CID 175007606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).