(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol

C₉H₂₁O₅P — CID 125471706

About (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol

(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol (PubChem CID 125471706) has the molecular formula C₉H₂₁O₅P and a molecular weight of 240.24 g/mol. Its IUPAC name is (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol.

Molecular Properties

• Compound Name: (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
• PubChem CID: 125471706
• Molecular Formula: C₉H₂₁O₅P
• Molecular Weight: 240.24 g/mol
• Exact Mass: 240.11
• IUPAC Name: (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
• SMILES: COC[C@@H](O)P(=O)(OC(C)C)OC(C)C
• InChI: InChI=1S/C9H21O5P/c1-7(2)13-15(11,14-8(3)4)9(10)6-12-5/h7-10H,6H2,1-5H3/t9-/m0/s1
• InChIKey: RQLBZQBVPYRSKZ-VIFPVBQESA-N
• XLogP: 1.99
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.24
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?

The IUPAC name of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol (CID 125471706) is (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol.

What is the SMILES notation for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?

The canonical SMILES for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol is COC[C@@H](O)P(=O)(OC(C)C)OC(C)C.

What is the InChIKey of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?

The InChIKey is RQLBZQBVPYRSKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21O5P/c1-7(2)13-15(11,14-8(3)4)9(10)6-12-5/h7-10H,6H2,1-5H3/t9-/m0/s1.

What are the key properties of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?

(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol has a molecular weight of 240.24 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol is sourced from PubChem (CID 125471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125471706 — identifiers, structure, computed properties (public domain)

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