trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane

C19H23F13Si — CID 10768442

IUPACtrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H23F13Si/c1-5-6-7-8-9-13(10-11-33(2,3)4)12-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,5-9H2,1-4H3/b13-12+
InChIKeyMMMPVYXSUOXCKX-OUKQBFOZSA-N
MW526.45 g/mol
LogP8.50
Rot. Bonds10

About trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane

trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane (PubChem CID 10768442) has the molecular formula C19H23F13Si and a molecular weight of 526.45 g/mol. Its IUPAC name is trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane
PubChem CID10768442
Molecular FormulaC19H23F13Si
Molecular Weight526.45 g/mol
Exact Mass526.14
IUPAC Nametrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H23F13Si/c1-5-6-7-8-9-13(10-11-33(2,3)4)12-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,5-9H2,1-4H3/b13-12+
InChIKeyMMMPVYXSUOXCKX-OUKQBFOZSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.45
LogP ≤ 58.50
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
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
trimethyl-[(3Z)-3-(2,2,3,3,4,4,5,5,5-nonafluoropentylidene)non-1-ynyl]silane
CID 177494706
(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-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane?
The IUPAC name of 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) is trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-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)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane?
The InChIKey is MMMPVYXSUOXCKX-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H23F13Si/c1-5-6-7-8-9-13(10-11-33(2,3)4)12-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h12H,5-9H2,1-4H3/b13-12+.
What are the key properties of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane?
trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane has a molecular weight of 526.45 g/mol, XLogP of 8.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hexyldec-3-en-1-ynyl]silane is sourced from PubChem (CID 10768442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).