Bis(2-hydroxyacetic acid);methane

C₆H₁₆O₆ — CID 158039555

About Bis(2-hydroxyacetic acid);methane

Bis(2-hydroxyacetic acid);methane (PubChem CID 158039555) has the molecular formula C₆H₁₆O₆ and a molecular weight of 184.19 g/mol. Its IUPAC name is bis(2-hydroxyacetic acid);methane.

Molecular Properties

• Compound Name: Bis(2-hydroxyacetic acid);methane
• PubChem CID: 158039555
• Molecular Formula: C₆H₁₆O₆
• Molecular Weight: 184.19 g/mol
• Exact Mass: 184.09
• IUPAC Name: bis(2-hydroxyacetic acid);methane
• SMILES: C.C.O=C(O)CO.O=C(O)CO
• InChI: InChI=1S/2C2H4O3.2CH4/c2*3-1-2(4)5;;/h2*3H,1H2,(H,4,5);2*1H4
• InChIKey: FIEJZHPWZOJZDV-UHFFFAOYSA-N
• XLogP: -0.60
• TPSA: 115.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.19
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Bis(2-hydroxyacetic acid);methane?

The IUPAC name of Bis(2-hydroxyacetic acid);methane (CID 158039555) is bis(2-hydroxyacetic acid);methane.

What is the SMILES notation for Bis(2-hydroxyacetic acid);methane?

The canonical SMILES for Bis(2-hydroxyacetic acid);methane is C.C.O=C(O)CO.O=C(O)CO.

What is the InChIKey of Bis(2-hydroxyacetic acid);methane?

The InChIKey is FIEJZHPWZOJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O3.2CH4/c2*3-1-2(4)5;;/h2*3H,1H2,(H,4,5);2*1H4.

What are the key properties of Bis(2-hydroxyacetic acid);methane?

Bis(2-hydroxyacetic acid);methane has a molecular weight of 184.19 g/mol, XLogP of -0.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2-hydroxyacetic acid);methane is sourced from PubChem (CID 158039555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158039555 — identifiers, structure, computed properties (public domain)

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