CID 172826348

C6H14MgO3 — CID 172826348

About CID 172826348

CID 172826348 (PubChem CID 172826348) has the molecular formula C6H14MgO3 and a molecular weight of 158.48 g/mol.

Molecular Properties

• Compound Name: CID 172826348
• PubChem CID: 172826348
• Molecular Formula: C6H14MgO3
• Molecular Weight: 158.48 g/mol
• Exact Mass: 158.08
• IUPAC Name: —
• SMILES: COCCOCCOC.[Mg]
• InChI: InChI=1S/C6H14O3.Mg/c1-7-3-5-9-6-4-8-2;/h3-6H2,1-2H3
• InChIKey: UXKXYYNIIONVMR-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.48
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	0
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 CID 172826348?

The IUPAC name of CID 172826348 (CID 172826348) is not available.

What is the SMILES notation for CID 172826348?

The canonical SMILES for CID 172826348 is COCCOCCOC.[Mg].

What is the InChIKey of CID 172826348?

The InChIKey is UXKXYYNIIONVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.Mg/c1-7-3-5-9-6-4-8-2;/h3-6H2,1-2H3;.

What are the key properties of CID 172826348?

CID 172826348 has a molecular weight of 158.48 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 172826348 is sourced from PubChem (CID 172826348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).