alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde

C18H39AlO6 — CID 173456686

About alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde

alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde (PubChem CID 173456686) has the molecular formula C18H39AlO6 and a molecular weight of 378.49 g/mol. Its IUPAC name is alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde.

Molecular Properties

• Compound Name: alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde
• PubChem CID: 173456686
• Molecular Formula: C18H39AlO6
• Molecular Weight: 378.49 g/mol
• Exact Mass: 378.26
• IUPAC Name: alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde
• SMILES: CCCCOC(COCCOCC=O)(OCCCC)OCCCC.[AlH3]
• InChI: InChI=1S/C18H36O6.Al.3H/c1-4-7-11-22-18(23-12-8-5-2,24-13-9-6-3)17-21-16-15-20-14-10-19;;;;/h10H,4-9,11-17H2,1-3H3
• InChIKey: DTLQPHSZYRFISV-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.49
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde?

The IUPAC name of alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde (CID 173456686) is alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde.

What is the SMILES notation for alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde?

The canonical SMILES for alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde is CCCCOC(COCCOCC=O)(OCCCC)OCCCC.[AlH3].

What is the InChIKey of alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde?

The InChIKey is DTLQPHSZYRFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6.Al.3H/c1-4-7-11-22-18(23-12-8-5-2,24-13-9-6-3)17-21-16-15-20-14-10-19;;;;/h10H,4-9,11-17H2,1-3H3;;;;.

What are the key properties of alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde?

alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde has a molecular weight of 378.49 g/mol, XLogP of 2.14, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 173456686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).