dibutyl hydrogen phosphate

C8H19O4P — CID 7881

IUPACdibutyl hydrogen phosphate
SMILESCCCCOP(=O)(O)OCCCC
InChIInChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKeyJYFHYPJRHGVZDY-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.72
Rot. Bonds8

About dibutyl hydrogen phosphate

dibutyl hydrogen phosphate (PubChem CID 7881) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is dibutyl hydrogen phosphate.

Molecular Properties

Compound Namedibutyl hydrogen phosphate
PubChem CID7881
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Namedibutyl hydrogen phosphate
SMILESCCCCOP(=O)(O)OCCCC
InChIInChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKeyJYFHYPJRHGVZDY-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 dibutyl hydrogen phosphate?
The IUPAC name of dibutyl hydrogen phosphate (CID 7881) is dibutyl hydrogen phosphate.
What is the SMILES notation for dibutyl hydrogen phosphate?
The canonical SMILES for dibutyl hydrogen phosphate is CCCCOP(=O)(O)OCCCC.
What is the InChIKey of dibutyl hydrogen phosphate?
The InChIKey is JYFHYPJRHGVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10).
What are the key properties of dibutyl hydrogen phosphate?
dibutyl hydrogen phosphate has a molecular weight of 210.21 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl hydrogen phosphate is sourced from PubChem (CID 7881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).