HMIYWDTYTFULSR-UHFFFAOYSA-M

C₁₅H₃₃NO₅ — CID 118645363

About HMIYWDTYTFULSR-UHFFFAOYSA-M

HMIYWDTYTFULSR-UHFFFAOYSA-M (PubChem CID 118645363) has the molecular formula C₁₅H₃₃NO₅ and a molecular weight of 307.43 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate.

Molecular Properties

• Compound Name: HMIYWDTYTFULSR-UHFFFAOYSA-M
• PubChem CID: 118645363
• Molecular Formula: C₁₅H₃₃NO₅
• Molecular Weight: 307.43 g/mol
• Exact Mass: 307.24
• IUPAC Name: diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
• SMILES: CCOCCOCCC(=O)[O-].CC[N+](C)(CC)CCOC
• InChI: InChI=1S/C8H20NO.C7H14O4/c1-5-9(3,6-2)7-8-10-4;1-2-10-5-6-11-4-3-7(8)9/h5-8H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1
• InChIKey: HMIYWDTYTFULSR-UHFFFAOYSA-M
• XLogP: 0.30
• TPSA: 67.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.43
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of HMIYWDTYTFULSR-UHFFFAOYSA-M?

The IUPAC name of HMIYWDTYTFULSR-UHFFFAOYSA-M (CID 118645363) is diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate.

What is the SMILES notation for HMIYWDTYTFULSR-UHFFFAOYSA-M?

The canonical SMILES for HMIYWDTYTFULSR-UHFFFAOYSA-M is CCOCCOCCC(=O)[O-].CC[N+](C)(CC)CCOC.

What is the InChIKey of HMIYWDTYTFULSR-UHFFFAOYSA-M?

The InChIKey is HMIYWDTYTFULSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO.C7H14O4/c1-5-9(3,6-2)7-8-10-4;1-2-10-5-6-11-4-3-7(8)9/h5-8H2,1-4H3;2-6H2,1H3,(H,8,9)/q+1;/p-1.

What are the key properties of HMIYWDTYTFULSR-UHFFFAOYSA-M?

HMIYWDTYTFULSR-UHFFFAOYSA-M has a molecular weight of 307.43 g/mol, XLogP of 0.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for HMIYWDTYTFULSR-UHFFFAOYSA-M is sourced from PubChem (CID 118645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118645363 — identifiers, structure, computed properties (public domain)

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