trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane

C14H11F15Si — CID 10601178

IUPACtrimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H11F15Si/c1-30(2,3)6-4-5-7(15)9(18,19)11(22,23)13(26,27)14(28,29)12(24,25)10(20,21)8(16)17/h5,8H,1-3H3/b7-5-
InChIKeyQLLTVPQNMLWSGR-ALCCZGGFSA-N
MW492.30 g/mol
LogP6.80
Rot. Bonds7

About trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane

trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane (PubChem CID 10601178) has the molecular formula C14H11F15Si and a molecular weight of 492.30 g/mol. Its IUPAC name is trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane
PubChem CID10601178
Molecular FormulaC14H11F15Si
Molecular Weight492.30 g/mol
Exact Mass492.04
IUPAC Nametrimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H11F15Si/c1-30(2,3)6-4-5-7(15)9(18,19)11(22,23)13(26,27)14(28,29)12(24,25)10(20,21)8(16)17/h5,8H,1-3H3/b7-5-
InChIKeyQLLTVPQNMLWSGR-ALCCZGGFSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.30
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane
CID 10768442
trimethyl-[(3E)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
CID 11293225
trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane
CID 11797444
trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
CID 177494706

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane (CID 10601178) is trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane is C[Si](C)(C)C#C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane?
The InChIKey is QLLTVPQNMLWSGR-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H11F15Si/c1-30(2,3)6-4-5-7(15)9(18,19)11(22,23)13(26,27)14(28,29)12(24,25)10(20,21)8(16)17/h5,8H,1-3H3/b7-5-.
What are the key properties of trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane?
trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane has a molecular weight of 492.30 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane is sourced from PubChem (CID 10601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).