1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen

C17H39NO5 — CID 156735954

About 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen

1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen (PubChem CID 156735954) has the molecular formula C17H39NO5 and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen
• PubChem CID: 156735954
• Molecular Formula: C17H39NO5
• Molecular Weight: 337.50 g/mol
• Exact Mass: 337.28
• IUPAC Name: 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen
• SMILES: CC.CC(C)(C)C(=O)CCOCCOCCOCCOCCN.[H][H]
• InChI: InChI=1S/C15H31NO5.C2H6.H2/c1-15(2,3)14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;1-2;/h4-13,16H2,1-3H3;1-2H3;1H
• InChIKey: SSUJERPRMRDIOR-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 80.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.50
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen?

The IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen (CID 156735954) is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen.

What is the SMILES notation for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen?

The canonical SMILES for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen is CC.CC(C)(C)C(=O)CCOCCOCCOCCOCCN.[H][H].

What is the InChIKey of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen?

The InChIKey is SSUJERPRMRDIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5.C2H6.H2/c1-15(2,3)14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16;1-2;/h4-13,16H2,1-3H3;1-2H3;1H.

What are the key properties of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen?

1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen has a molecular weight of 337.50 g/mol, XLogP of 2.29, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;ethane;molecular hydrogen is sourced from PubChem (CID 156735954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).