2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol

C10H22ClO5P — CID 137471459

About 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol

2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol (PubChem CID 137471459) has the molecular formula C10H22ClO5P and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol
• PubChem CID: 137471459
• Molecular Formula: C10H22ClO5P
• Molecular Weight: 288.71 g/mol
• Exact Mass: 288.09
• IUPAC Name: 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol
• SMILES: CC(C)(C)OP(=O)(Cl)OC(C)(C)COCCO
• InChI: InChI=1S/C10H22ClO5P/c1-9(2,3)15-17(11,13)16-10(4,5)8-14-7-6-12/h12H,6-8H2,1-5H3
• InChIKey: ZNFDWACXBMNXSK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.71
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol?

The IUPAC name of 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol (CID 137471459) is 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol.

What is the SMILES notation for 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol?

The canonical SMILES for 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol is CC(C)(C)OP(=O)(Cl)OC(C)(C)COCCO.

What is the InChIKey of 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol?

The InChIKey is ZNFDWACXBMNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClO5P/c1-9(2,3)15-17(11,13)16-10(4,5)8-14-7-6-12/h12H,6-8H2,1-5H3.

What are the key properties of 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol?

2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol has a molecular weight of 288.71 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol is sourced from PubChem (CID 137471459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).