[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane

C16H21F13OSi — CID 14914243

IUPAC[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane
SMILESCC/C=C(\O[Si](C)(C)C)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H21F13OSi/c1-6-8-10(30-31(3,4)5)9(7-2)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8-9H,6-7H2,1-5H3/b10-8-
InChIKeyBEDPMPWQJSATMH-NTMALXAHSA-N
MW504.40 g/mol
LogP7.90
Rot. Bonds10

About [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane

[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane (PubChem CID 14914243) has the molecular formula C16H21F13OSi and a molecular weight of 504.40 g/mol. Its IUPAC name is [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane
PubChem CID14914243
Molecular FormulaC16H21F13OSi
Molecular Weight504.40 g/mol
Exact Mass504.12
IUPAC Name[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane
SMILESCC/C=C(\O[Si](C)(C)C)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H21F13OSi/c1-6-8-10(30-31(3,4)5)9(7-2)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8-9H,6-7H2,1-5H3/b10-8-
InChIKeyBEDPMPWQJSATMH-NTMALXAHSA-N
XLogP7.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.40
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane (CID 14914243) is [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane is CC/C=C(\O[Si](C)(C)C)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane?
The InChIKey is BEDPMPWQJSATMH-NTMALXAHSA-N. The full InChI is InChI=1S/C16H21F13OSi/c1-6-8-10(30-31(3,4)5)9(7-2)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8-9H,6-7H2,1-5H3/b10-8-.
What are the key properties of [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane?
[(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane has a molecular weight of 504.40 g/mol, XLogP of 7.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-ethyl-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundec-3-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 14914243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).