ethyl hexyl hydrogen phosphate

C8H19O4P — CID 14474301

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

About ethyl hexyl hydrogen phosphate

ethyl hexyl hydrogen phosphate (PubChem CID 14474301) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is ethyl hexyl hydrogen phosphate.

Molecular Properties

Compound Nameethyl hexyl hydrogen phosphate
PubChem CID14474301
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Nameethyl hexyl hydrogen phosphate
SMILESCCCCCCOP(=O)(O)OCC
InChIInChI=1S/C8H19O4P/c1-3-5-6-7-8-12-13(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKeyHCIQUGMKXQZZMG-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 ethyl hexyl hydrogen phosphate?
The IUPAC name of ethyl hexyl hydrogen phosphate (CID 14474301) is ethyl hexyl hydrogen phosphate.
What is the SMILES notation for ethyl hexyl hydrogen phosphate?
The canonical SMILES for ethyl hexyl hydrogen phosphate is CCCCCCOP(=O)(O)OCC.
What is the InChIKey of ethyl hexyl hydrogen phosphate?
The InChIKey is HCIQUGMKXQZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-3-5-6-7-8-12-13(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10).
What are the key properties of ethyl hexyl hydrogen phosphate?
ethyl hexyl 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 ethyl hexyl hydrogen phosphate is sourced from PubChem (CID 14474301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).