Dimethoxy(propan-2-yl)phosphane

C₅H₁₃O₂P — CID 23414683

About Dimethoxy(propan-2-yl)phosphane

Dimethoxy(propan-2-yl)phosphane (PubChem CID 23414683) has the molecular formula C₅H₁₃O₂P and a molecular weight of 136.13 g/mol. Its IUPAC name is dimethoxy(propan-2-yl)phosphane.

Molecular Properties

• Compound Name: Dimethoxy(propan-2-yl)phosphane
• PubChem CID: 23414683
• Molecular Formula: C₅H₁₃O₂P
• Molecular Weight: 136.13 g/mol
• Exact Mass: 136.07
• IUPAC Name: dimethoxy(propan-2-yl)phosphane
• SMILES: COP(OC)C(C)C
• InChI: InChI=1S/C5H13O2P/c1-5(2)8(6-3)7-4/h5H,1-4H3
• InChIKey: GLAAEAIJYUENSV-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.13
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethoxy(propan-2-yl)phosphane?

The IUPAC name of Dimethoxy(propan-2-yl)phosphane (CID 23414683) is dimethoxy(propan-2-yl)phosphane.

What is the SMILES notation for Dimethoxy(propan-2-yl)phosphane?

The canonical SMILES for Dimethoxy(propan-2-yl)phosphane is COP(OC)C(C)C.

What is the InChIKey of Dimethoxy(propan-2-yl)phosphane?

The InChIKey is GLAAEAIJYUENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-5(2)8(6-3)7-4/h5H,1-4H3.

What are the key properties of Dimethoxy(propan-2-yl)phosphane?

Dimethoxy(propan-2-yl)phosphane has a molecular weight of 136.13 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethoxy(propan-2-yl)phosphane is sourced from PubChem (CID 23414683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23414683 — identifiers, structure, computed properties (public domain)

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