2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol

C₉H₂₀O₄ — CID 118017315

About 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol

2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol (PubChem CID 118017315) has the molecular formula C₉H₂₀O₄ and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol.

Molecular Properties

• Compound Name: 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
• PubChem CID: 118017315
• Molecular Formula: C₉H₂₀O₄
• Molecular Weight: 192.25 g/mol
• Exact Mass: 192.14
• IUPAC Name: 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
• SMILES: COC(CO)OC(CO)C(C)(C)C
• InChI: InChI=1S/C9H20O4/c1-9(2,3)7(5-10)13-8(6-11)12-4/h7-8,10-11H,5-6H2,1-4H3
• InChIKey: RXKNNLXCYKMKLO-UHFFFAOYSA-N
• XLogP: 0.37
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.25
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?

The IUPAC name of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol (CID 118017315) is 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol.

What is the SMILES notation for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?

The canonical SMILES for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol is COC(CO)OC(CO)C(C)(C)C.

What is the InChIKey of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?

The InChIKey is RXKNNLXCYKMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2,3)7(5-10)13-8(6-11)12-4/h7-8,10-11H,5-6H2,1-4H3.

What are the key properties of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?

2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 118017315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118017315 — identifiers, structure, computed properties (public domain)

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