2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde

C₈H₁₆BrO₄P — CID 3760305

About 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde

2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde (PubChem CID 3760305) has the molecular formula C₈H₁₆BrO₄P and a molecular weight of 287.09 g/mol. Its IUPAC name is 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde.

Molecular Properties

• Compound Name: 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
• PubChem CID: 3760305
• Molecular Formula: C₈H₁₆BrO₄P
• Molecular Weight: 287.09 g/mol
• Exact Mass: 286.00
• IUPAC Name: 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
• SMILES: CC(C)OP(=O)(OC(C)C)C(Br)C=O
• InChI: InChI=1S/C8H16BrO4P/c1-6(2)12-14(11,8(9)5-10)13-7(3)4/h5-8H,1-4H3
• InChIKey: XHGDJRFKXPWFJK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.09
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde?

The IUPAC name of 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde (CID 3760305) is 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde.

What is the SMILES notation for 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde?

The canonical SMILES for 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde is CC(C)OP(=O)(OC(C)C)C(Br)C=O.

What is the InChIKey of 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde?

The InChIKey is XHGDJRFKXPWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrO4P/c1-6(2)12-14(11,8(9)5-10)13-7(3)4/h5-8H,1-4H3.

What are the key properties of 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde?

2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde has a molecular weight of 287.09 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde is sourced from PubChem (CID 3760305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3760305 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.