2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)

C58H130N8Y3+6 — CID 161264037

About 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)

2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium) (PubChem CID 161264037) has the molecular formula C58H130N8Y3+6 and a molecular weight of 1206.45 g/mol. Its IUPAC name is 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium).

Molecular Properties

• Compound Name: 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)
• PubChem CID: 161264037
• Molecular Formula: C58H130N8Y3+6
• Molecular Weight: 1206.45 g/mol
• Exact Mass: 1205.76
• IUPAC Name: 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)
• SMILES: C.C.C.C.CCC1CC(C)C[N+]2(CCN(C)CC2)C1.CCC1CC(C)C[N+]2(CC[N+](C)(C)CC2)C1.CCC1C[N+]2(CCN(C)CC2)CC1CC.CCC1C[N+]2(CC[N+](C)(C)CC2)CC1CC.[Y].[Y].[Y]
• InChI: InChI=1S/2C14H30N2.2C13H27N2.4CH4.3Y/c1-5-14-10-13(2)11-16(12-14)8-6-15(3,4)7-9-16;1-5-13-11-16(12-14(13)6-2)9-7-15(3,4)8-10-16;1-4-13-9-12(2)10-15(11-13)7-5-14(3)6-8-15;1-4-12-10-15(11-13(12)5-2)8-6-14(3)7-9-15;;;;;;;/h2*13-14H,5-12H2,1-4H3;2*12-13H,4-11H2,1-3H3;4*1H4;;;/q2*+2;2*+1
• InChIKey: QXJJPVXEJBMTBY-UHFFFAOYSA-N
• XLogP: 10.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1206.45
LogP ≤ 5	10.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)?

The IUPAC name of 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium) (CID 161264037) is 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium).

What is the SMILES notation for 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)?

The canonical SMILES for 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium) is C.C.C.C.CCC1CC(C)C[N+]2(CCN(C)CC2)C1.CCC1CC(C)C[N+]2(CC[N+](C)(C)CC2)C1.CCC1C[N+]2(CCN(C)CC2)CC1CC.CCC1C[N+]2(CC[N+](C)(C)CC2)CC1CC.[Y].[Y].[Y].

What is the InChIKey of 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)?

The InChIKey is QXJJPVXEJBMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H30N2.2C13H27N2.4CH4.3Y/c1-5-14-10-13(2)11-16(12-14)8-6-15(3,4)7-9-16;1-5-13-11-16(12-14(13)6-2)9-7-15(3,4)8-10-16;1-4-13-9-12(2)10-15(11-13)7-5-14(3)6-8-15;1-4-12-10-15(11-13(12)5-2)8-6-14(3)7-9-15;;;;;;;/h2*13-14H,5-12H2,1-4H3;2*12-13H,4-11H2,1-3H3;4*1H4;;;/q2*+2;2*+1;;;;;;;.

What are the key properties of 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium)?

2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium) has a molecular weight of 1206.45 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diethyl-8,8-dimethyl-5,8-diazoniaspiro[4.5]decane;2,3-diethyl-8-methyl-8-aza-5-azoniaspiro[4.5]decane;10-ethyl-3,8-dimethyl-3-aza-6-azoniaspiro[5.5]undecane;10-ethyl-3,3,8-trimethyl-3,6-diazoniaspiro[5.5]undecane;methane;tris(yttrium) is sourced from PubChem (CID 161264037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).