2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate

C6H15O7P — CID 16741216

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCO
InChIInChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)
InChIKeyCJHGCXGTUHBMMH-UHFFFAOYSA-N
MW230.15 g/mol
LogP-0.88
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate (PubChem CID 16741216) has the molecular formula C6H15O7P and a molecular weight of 230.15 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
PubChem CID16741216
Molecular FormulaC6H15O7P
Molecular Weight230.15 g/mol
Exact Mass230.06
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCO
InChIInChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10)
InChIKeyCJHGCXGTUHBMMH-UHFFFAOYSA-N
XLogP-0.88
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate (CID 16741216) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate is O=P(O)(O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate?
The InChIKey is CJHGCXGTUHBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O7P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h7H,1-6H2,(H2,8,9,10).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate has a molecular weight of 230.15 g/mol, XLogP of -0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 16741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).