dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C13H13F13Si — CID 88660382

About dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 88660382) has the molecular formula C13H13F13Si and a molecular weight of 444.31 g/mol. Its IUPAC name is dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

• Compound Name: dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• PubChem CID: 88660382
• Molecular Formula: C13H13F13Si
• Molecular Weight: 444.31 g/mol
• Exact Mass: 444.06
• IUPAC Name: dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• SMILES: C#CC[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C13H13F13Si/c1-4-6-27(2,3)7-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1H,5-7H2,2-3H3
• InChIKey: WMKIGYOWFRTIKP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.31
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The IUPAC name of dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 88660382) is dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

What is the SMILES notation for dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The canonical SMILES for dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is C#CC[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

The InChIKey is WMKIGYOWFRTIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F13Si/c1-4-6-27(2,3)7-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1H,5-7H2,2-3H3.

What are the key properties of dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?

dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 444.31 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-prop-2-ynyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 88660382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).