1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane

C14H15F17O3Si — CID 18504293

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C14H15F17O3Si/c1-32-35(33-2,34-3)9(21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)7(18)5(16)4(15)6(17)8(19)20/h4-9H,1-3H3
InChIKeyDNYSKGVFYFXZBB-UHFFFAOYSA-N
MW582.32 g/mol
LogP5.54
Rot. Bonds14

About 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane

1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane (PubChem CID 18504293) has the molecular formula C14H15F17O3Si and a molecular weight of 582.32 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
PubChem CID18504293
Molecular FormulaC14H15F17O3Si
Molecular Weight582.32 g/mol
Exact Mass582.05
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C14H15F17O3Si/c1-32-35(33-2,34-3)9(21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)7(18)5(16)4(15)6(17)8(19)20/h4-9H,1-3H3
InChIKeyDNYSKGVFYFXZBB-UHFFFAOYSA-N
XLogP5.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.32
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane (CID 18504293) is 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane is CO[Si](OC)(OC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane?
The InChIKey is DNYSKGVFYFXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F17O3Si/c1-32-35(33-2,34-3)9(21)11(24,25)13(28,29)14(30,31)12(26,27)10(22,23)7(18)5(16)4(15)6(17)8(19)20/h4-9H,1-3H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane?
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane has a molecular weight of 582.32 g/mol, XLogP of 5.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane is sourced from PubChem (CID 18504293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).