deuteriomethane;2-(2-hydroxyethoxy)ethanol

C6H18O3 — CID 86287438

About deuteriomethane;2-(2-hydroxyethoxy)ethanol

deuteriomethane;2-(2-hydroxyethoxy)ethanol (PubChem CID 86287438) has the molecular formula C6H18O3 and a molecular weight of 140.22 g/mol. Its IUPAC name is deuteriomethane;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

• Compound Name: deuteriomethane;2-(2-hydroxyethoxy)ethanol
• PubChem CID: 86287438
• Molecular Formula: C6H18O3
• Molecular Weight: 140.22 g/mol
• Exact Mass: 140.14
• IUPAC Name: deuteriomethane;2-(2-hydroxyethoxy)ethanol
• SMILES: OCCOCCO.[2H]C.[2H]C
• InChI: InChI=1S/C4H10O3.2CH4/c5-1-3-7-4-2-6;;/h5-6H,1-4H2;2*1H4/i;2*1D
• InChIKey: QJXDZSALPHAYQX-GVEVKWQDSA-N
• XLogP: 0.26
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.22
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	2
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 deuteriomethane;2-(2-hydroxyethoxy)ethanol?

The IUPAC name of deuteriomethane;2-(2-hydroxyethoxy)ethanol (CID 86287438) is deuteriomethane;2-(2-hydroxyethoxy)ethanol.

What is the SMILES notation for deuteriomethane;2-(2-hydroxyethoxy)ethanol?

The canonical SMILES for deuteriomethane;2-(2-hydroxyethoxy)ethanol is OCCOCCO.[2H]C.[2H]C.

What is the InChIKey of deuteriomethane;2-(2-hydroxyethoxy)ethanol?

The InChIKey is QJXDZSALPHAYQX-GVEVKWQDSA-N. The full InChI is InChI=1S/C4H10O3.2CH4/c5-1-3-7-4-2-6;;/h5-6H,1-4H2;2*1H4/i;2*1D.

What are the key properties of deuteriomethane;2-(2-hydroxyethoxy)ethanol?

deuteriomethane;2-(2-hydroxyethoxy)ethanol has a molecular weight of 140.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for deuteriomethane;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 86287438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).