triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane

C16H29F7O3Si — CID 87687604

IUPACtriethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H29F7O3Si/c1-5-9-10-13(17)15(20,21)16(22,23)14(18,19)11-12-27(24-6-2,25-7-3)26-8-4/h13H,5-12H2,1-4H3
InChIKeyHNIRKNQGUQOOCO-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.86
Rot. Bonds15

About triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane

triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane (PubChem CID 87687604) has the molecular formula C16H29F7O3Si and a molecular weight of 430.48 g/mol. Its IUPAC name is triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane.

Molecular Properties

Compound Nametriethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
PubChem CID87687604
Molecular FormulaC16H29F7O3Si
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Nametriethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H29F7O3Si/c1-5-9-10-13(17)15(20,21)16(22,23)14(18,19)11-12-27(24-6-2,25-7-3)26-8-4/h13H,5-12H2,1-4H3
InChIKeyHNIRKNQGUQOOCO-UHFFFAOYSA-N
XLogP5.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.86
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 triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane?
The IUPAC name of triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane (CID 87687604) is triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane.
What is the SMILES notation for triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane?
The canonical SMILES for triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane is CCCCC(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane?
The InChIKey is HNIRKNQGUQOOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F7O3Si/c1-5-9-10-13(17)15(20,21)16(22,23)14(18,19)11-12-27(24-6-2,25-7-3)26-8-4/h13H,5-12H2,1-4H3.
What are the key properties of triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane?
triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane has a molecular weight of 430.48 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane is sourced from PubChem (CID 87687604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).