trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane

C17H23F9Si — CID 177494706

IUPACtrimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H23F9Si/c1-5-6-7-8-9-13(10-11-27(2,3)4)12-14(18,19)15(20,21)16(22,23)17(24,25)26/h12H,5-9H2,1-4H3/b13-12-
InChIKeyYHIXQYCHIQXZAT-SEYXRHQNSA-N
MW426.44 g/mol
LogP7.23
Rot. Bonds8

About trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane

trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane (PubChem CID 177494706) has the molecular formula C17H23F9Si and a molecular weight of 426.44 g/mol. Its IUPAC name is trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
PubChem CID177494706
Molecular FormulaC17H23F9Si
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Nametrimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H23F9Si/c1-5-6-7-8-9-13(10-11-27(2,3)4)12-14(18,19)15(20,21)16(22,23)17(24,25)26/h12H,5-9H2,1-4H3/b13-12-
InChIKeyYHIXQYCHIQXZAT-SEYXRHQNSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

[5-(Cyclohexen-1-yl)-3,3-difluoropenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 177849926
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
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
7-Butyl-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-en-5-yne
CID 88639757
(E)-6-(3,3-dimethylbut-1-ynyl)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
CID 11292777
trimethyl-[(3E)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
CID 11293225
(11,11-Difluoro-10-methylundeca-6,10-dien-8-yn-5-yl)-dimethylsilane
CID 154320834
(Z)-6-(3,3-dimethylbut-1-ynyl)-1,1,1,2,2,3,3,4,4-nonafluorododec-5-ene
CID 177600187
2-[(1Z)-cyclododecen-1-yl]ethynyl-trimethylsilane
CID 10515650
trimethyl-[(Z)-3-methyltridec-3-en-1-ynyl]silane
CID 10706775
[(E)-4-butyl-5-deuterionon-4-en-1-ynyl]-trimethylsilane
CID 11265228
trimethyl-[(E)-3-methyltridec-3-en-1-ynyl]silane
CID 12183664

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane?
The IUPAC name of trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane (CID 177494706) is trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane is CCCCCC/C(C#C[Si](C)(C)C)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane?
The InChIKey is YHIXQYCHIQXZAT-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H23F9Si/c1-5-6-7-8-9-13(10-11-27(2,3)4)12-14(18,19)15(20,21)16(22,23)17(24,25)26/h12H,5-9H2,1-4H3/b13-12-.
What are the key properties of trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane?
trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane has a molecular weight of 426.44 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane is sourced from PubChem (CID 177494706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).