2-ethylhexyl dihydrogen phosphate

C8H19O4P — CID 14050

IUPAC2-ethylhexyl dihydrogen phosphate
SMILESCCCCC(CC)COP(=O)(O)O
InChIInChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyLJKDOMVGKKPJBH-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.31
Rot. Bonds7

About 2-ethylhexyl dihydrogen phosphate

2-ethylhexyl dihydrogen phosphate (PubChem CID 14050) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-ethylhexyl dihydrogen phosphate.

Molecular Properties

Compound Name2-ethylhexyl dihydrogen phosphate
PubChem CID14050
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name2-ethylhexyl dihydrogen phosphate
SMILESCCCCC(CC)COP(=O)(O)O
InChIInChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyLJKDOMVGKKPJBH-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl dihydrogen phosphate?
The IUPAC name of 2-ethylhexyl dihydrogen phosphate (CID 14050) is 2-ethylhexyl dihydrogen phosphate.
What is the SMILES notation for 2-ethylhexyl dihydrogen phosphate?
The canonical SMILES for 2-ethylhexyl dihydrogen phosphate is CCCCC(CC)COP(=O)(O)O.
What is the InChIKey of 2-ethylhexyl dihydrogen phosphate?
The InChIKey is LJKDOMVGKKPJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-ethylhexyl dihydrogen phosphate?
2-ethylhexyl dihydrogen phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl dihydrogen phosphate is sourced from PubChem (CID 14050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).