bis(2-decoxyethyl) hydrogen phosphate

C24H51O6P — CID 13261719

IUPACbis(2-decoxyethyl) hydrogen phosphate
SMILESCCCCCCCCCCOCCOP(=O)(O)OCCOCCCCCCCCCC
InChIInChI=1S/C24H51O6P/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25,26)30-24-22-28-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
InChIKeyMTKFFUGAZKHPRZ-UHFFFAOYSA-N
MW466.64 g/mol
LogP7.43
Rot. Bonds26

About bis(2-decoxyethyl) hydrogen phosphate

bis(2-decoxyethyl) hydrogen phosphate (PubChem CID 13261719) has the molecular formula C24H51O6P and a molecular weight of 466.64 g/mol. Its IUPAC name is bis(2-decoxyethyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-decoxyethyl) hydrogen phosphate
PubChem CID13261719
Molecular FormulaC24H51O6P
Molecular Weight466.64 g/mol
Exact Mass466.34
IUPAC Namebis(2-decoxyethyl) hydrogen phosphate
SMILESCCCCCCCCCCOCCOP(=O)(O)OCCOCCCCCCCCCC
InChIInChI=1S/C24H51O6P/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25,26)30-24-22-28-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
InChIKeyMTKFFUGAZKHPRZ-UHFFFAOYSA-N
XLogP7.43
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 57.43
H-Bond Donors ≤ 51
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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Related Compounds

bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
2-[2-decoxyethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 134978238
CID 58922567
CID 58922567
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164

Frequently Asked Questions

What is the IUPAC name of bis(2-decoxyethyl) hydrogen phosphate?
The IUPAC name of bis(2-decoxyethyl) hydrogen phosphate (CID 13261719) is bis(2-decoxyethyl) hydrogen phosphate.
What is the SMILES notation for bis(2-decoxyethyl) hydrogen phosphate?
The canonical SMILES for bis(2-decoxyethyl) hydrogen phosphate is CCCCCCCCCCOCCOP(=O)(O)OCCOCCCCCCCCCC.
What is the InChIKey of bis(2-decoxyethyl) hydrogen phosphate?
The InChIKey is MTKFFUGAZKHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O6P/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25,26)30-24-22-28-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26).
What are the key properties of bis(2-decoxyethyl) hydrogen phosphate?
bis(2-decoxyethyl) hydrogen phosphate has a molecular weight of 466.64 g/mol, XLogP of 7.43, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-decoxyethyl) hydrogen phosphate is sourced from PubChem (CID 13261719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).