(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane

C14H15F17OSi — CID 173228621

IUPAC(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane
SMILESCC(O[SiH3])C(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C14H15F17OSi/c1-4(32-33)7(2,3)9(20,21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)8(18,19)5(15)6(16)17/h4-6H,1-3,33H3
InChIKeyUWRYJECBZWUKGS-UHFFFAOYSA-N
MW550.33 g/mol
LogP5.75
Rot. Bonds11

About (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane

(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane (PubChem CID 173228621) has the molecular formula C14H15F17OSi and a molecular weight of 550.33 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane
PubChem CID173228621
Molecular FormulaC14H15F17OSi
Molecular Weight550.33 g/mol
Exact Mass550.06
IUPAC Name(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane
SMILESCC(O[SiH3])C(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C14H15F17OSi/c1-4(32-33)7(2,3)9(20,21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)8(18,19)5(15)6(16)17/h4-6H,1-3,33H3
InChIKeyUWRYJECBZWUKGS-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.33
LogP ≤ 55.75
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 (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane?
The IUPAC name of (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane (CID 173228621) is (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane.
What is the SMILES notation for (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane?
The canonical SMILES for (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane is CC(O[SiH3])C(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane?
The InChIKey is UWRYJECBZWUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F17OSi/c1-4(32-33)7(2,3)9(20,21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)8(18,19)5(15)6(16)17/h4-6H,1-3,33H3.
What are the key properties of (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane?
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane has a molecular weight of 550.33 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-heptadecafluoro-3,3-dimethyldodecan-2-yl)oxysilane is sourced from PubChem (CID 173228621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).