(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium

C₂₀H₃₄NO₃+ — CID 7412459

About (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium

(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 7412459) has the molecular formula C₂₀H₃₄NO₃+ and a molecular weight of 336.50 g/mol. Its IUPAC name is (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

• Compound Name: (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
• PubChem CID: 7412459
• Molecular Formula: C₂₀H₃₄NO₃+
• Molecular Weight: 336.50 g/mol
• Exact Mass: 336.25
• IUPAC Name: (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
• SMILES: CC[C@H](C)c1ccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1
• InChI: InChI=1S/C20H33NO3/c1-5-16(2)19-6-8-20(9-7-19)23-13-12-22-11-10-21-14-17(3)24-18(4)15-21/h6-9,16-18H,5,10-15H2,1-4H3/p+1/t16-,17+,18+/m0/s1
• InChIKey: PCCPRLIMDXBZLG-RCCFBDPRSA-O
• XLogP: 2.29
• TPSA: 32.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.50
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?

The IUPAC name of (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium (CID 7412459) is (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium.

What is the SMILES notation for (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?

The canonical SMILES for (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium is CC[C@H](C)c1ccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1.

What is the InChIKey of (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?

The InChIKey is PCCPRLIMDXBZLG-RCCFBDPRSA-O. The full InChI is InChI=1S/C20H33NO3/c1-5-16(2)19-6-8-20(9-7-19)23-13-12-22-11-10-21-14-17(3)24-18(4)15-21/h6-9,16-18H,5,10-15H2,1-4H3/p+1/t16-,17+,18+/m0/s1.

What are the key properties of (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium?

(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 336.50 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 7412459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7412459 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.