bis(2-ethyloctyl) hydrogen phosphate

C20H43O4P — CID 15134822

IUPACbis(2-ethyloctyl) hydrogen phosphate
SMILESCCCCCCC(CC)COP(=O)(O)OCC(CC)CCCCCC
InChIInChI=1S/C20H43O4P/c1-5-9-11-13-15-19(7-3)17-23-25(21,22)24-18-20(8-4)16-14-12-10-6-2/h19-20H,5-18H2,1-4H3,(H,21,22)
InChIKeySNJIRMNSFQJUNK-UHFFFAOYSA-N
MW378.53 g/mol
LogP7.11
Rot. Bonds18

About bis(2-ethyloctyl) hydrogen phosphate

bis(2-ethyloctyl) hydrogen phosphate (PubChem CID 15134822) has the molecular formula C20H43O4P and a molecular weight of 378.53 g/mol. Its IUPAC name is bis(2-ethyloctyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-ethyloctyl) hydrogen phosphate
PubChem CID15134822
Molecular FormulaC20H43O4P
Molecular Weight378.53 g/mol
Exact Mass378.29
IUPAC Namebis(2-ethyloctyl) hydrogen phosphate
SMILESCCCCCCC(CC)COP(=O)(O)OCC(CC)CCCCCC
InChIInChI=1S/C20H43O4P/c1-5-9-11-13-15-19(7-3)17-23-25(21,22)24-18-20(8-4)16-14-12-10-6-2/h19-20H,5-18H2,1-4H3,(H,21,22)
InChIKeySNJIRMNSFQJUNK-UHFFFAOYSA-N
XLogP7.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.53
LogP ≤ 57.11
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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Related Compounds

bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
dihexylphosphorylmethyl 2-ethylhexyl hydrogen phosphate
CID 100928697
2-ethylhexyl 8-methylnonyl hydrogen phosphate
CID 174470689
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551
bis(2-ethylhexyl) hydrogen phosphate;octadec-9-en-1-amine
CID 3034854
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
bis(2-ethylhexyl) hydrogen phosphate;2-chloropropanoic acid
CID 174379477
[2-ethylhexoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate
CID 57171045
2-hexyloctyl octan-2-yl hydrogen phosphate
CID 139608562
CID 87184341
CID 87184341

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyloctyl) hydrogen phosphate?
The IUPAC name of bis(2-ethyloctyl) hydrogen phosphate (CID 15134822) is bis(2-ethyloctyl) hydrogen phosphate.
What is the SMILES notation for bis(2-ethyloctyl) hydrogen phosphate?
The canonical SMILES for bis(2-ethyloctyl) hydrogen phosphate is CCCCCCC(CC)COP(=O)(O)OCC(CC)CCCCCC.
What is the InChIKey of bis(2-ethyloctyl) hydrogen phosphate?
The InChIKey is SNJIRMNSFQJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O4P/c1-5-9-11-13-15-19(7-3)17-23-25(21,22)24-18-20(8-4)16-14-12-10-6-2/h19-20H,5-18H2,1-4H3,(H,21,22).
What are the key properties of bis(2-ethyloctyl) hydrogen phosphate?
bis(2-ethyloctyl) hydrogen phosphate has a molecular weight of 378.53 g/mol, XLogP of 7.11, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyloctyl) hydrogen phosphate is sourced from PubChem (CID 15134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).