2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde

C18H36O2 — CID 151404409

About 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde

2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde (PubChem CID 151404409) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde.

Molecular Properties

• Compound Name: 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde
• PubChem CID: 151404409
• Molecular Formula: C18H36O2
• Molecular Weight: 284.48 g/mol
• Exact Mass: 284.27
• IUPAC Name: 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde
• SMILES: CC(C)(C)C(C)(C)CCCCCCCCCOCC=O
• InChI: InChI=1S/C18H36O2/c1-17(2,3)18(4,5)13-11-9-7-6-8-10-12-15-20-16-14-19/h14H,6-13,15-16H2,1-5H3
• InChIKey: OXEOCUOPJAFJLO-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	284.48
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde?

The IUPAC name of 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde (CID 151404409) is 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde.

What is the SMILES notation for 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde?

The canonical SMILES for 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde is CC(C)(C)C(C)(C)CCCCCCCCCOCC=O.

What is the InChIKey of 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde?

The InChIKey is OXEOCUOPJAFJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-17(2,3)18(4,5)13-11-9-7-6-8-10-12-15-20-16-14-19/h14H,6-13,15-16H2,1-5H3.

What are the key properties of 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde?

2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde has a molecular weight of 284.48 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde is sourced from PubChem (CID 151404409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).