carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

C18H27F6OY- — CID 20759721

About carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (PubChem CID 20759721) has the molecular formula C18H27F6OY- and a molecular weight of 462.31 g/mol. Its IUPAC name is carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.

Molecular Properties

• Compound Name: carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
• PubChem CID: 20759721
• Molecular Formula: C18H27F6OY-
• Molecular Weight: 462.31 g/mol
• Exact Mass: 462.10
• IUPAC Name: carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
• SMILES: CCC1CC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.[CH3-].[Y]
• InChI: InChI=1S/C17H24F6O.CH3.Y/c1-3-9-4-8(2)13-12-6-10(14(9)13)5-11(12)7-15(24,16(18,19)20)17(21,22)23;;/h8-14,24H,3-7H2,1-2H3;1H3;/q;-1
• InChIKey: HQTUEDOUNJHZFP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.31
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?

The IUPAC name of carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (CID 20759721) is carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.

What is the SMILES notation for carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?

The canonical SMILES for carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is CCC1CC(C)C2C3CC(CC3CC(O)(C(F)(F)F)C(F)(F)F)C12.[CH3-].[Y].

What is the InChIKey of carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?

The InChIKey is HQTUEDOUNJHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F6O.CH3.Y/c1-3-9-4-8(2)13-12-6-10(14(9)13)5-11(12)7-15(24,16(18,19)20)17(21,22)23;;/h8-14,24H,3-7H2,1-2H3;1H3;/q;-1;.

What are the key properties of carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?

carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium has a molecular weight of 462.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is sourced from PubChem (CID 20759721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).