2-hexyldodecoxy(phenyl)phosphinic acid

C24H43O3P — CID 10223298

IUPAC2-hexyldodecoxy(phenyl)phosphinic acid
SMILESCCCCCCCCCCC(CCCCCC)COP(=O)(O)c1ccccc1
InChIInChI=1S/C24H43O3P/c1-3-5-7-9-10-11-12-15-19-23(18-14-8-6-4-2)22-27-28(25,26)24-20-16-13-17-21-24/h13,16-17,20-21,23H,3-12,14-15,18-19,22H2,1-2H3,(H,25,26)
InChIKeyWYXIXIMZHQKAGK-UHFFFAOYSA-N
MW410.58 g/mol
LogP7.63
Rot. Bonds18

About 2-hexyldodecoxy(phenyl)phosphinic acid

2-hexyldodecoxy(phenyl)phosphinic acid (PubChem CID 10223298) has the molecular formula C24H43O3P and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-hexyldodecoxy(phenyl)phosphinic acid.

Molecular Properties

Compound Name2-hexyldodecoxy(phenyl)phosphinic acid
PubChem CID10223298
Molecular FormulaC24H43O3P
Molecular Weight410.58 g/mol
Exact Mass410.29
IUPAC Name2-hexyldodecoxy(phenyl)phosphinic acid
SMILESCCCCCCCCCCC(CCCCCC)COP(=O)(O)c1ccccc1
InChIInChI=1S/C24H43O3P/c1-3-5-7-9-10-11-12-15-19-23(18-14-8-6-4-2)22-27-28(25,26)24-20-16-13-17-21-24/h13,16-17,20-21,23H,3-12,14-15,18-19,22H2,1-2H3,(H,25,26)
InChIKeyWYXIXIMZHQKAGK-UHFFFAOYSA-N
XLogP7.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
bis(2-decylpentadecyl) hydrogen phosphate
CID 57320275
[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
CID 70125181
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
2-decyloctadecyl benzenesulfonate
CID 174791490
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
8-[[chloro(2-heptylundecoxy)phosphoryl]oxymethyl]heptadecane
CID 11072206
1-phenyldodecoxy dihydrogen phosphate
CID 170335090
2-decyldodecyl 2-methoxy-2-phenylacetate
CID 129279281
2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434

Frequently Asked Questions

What is the IUPAC name of 2-hexyldodecoxy(phenyl)phosphinic acid?
The IUPAC name of 2-hexyldodecoxy(phenyl)phosphinic acid (CID 10223298) is 2-hexyldodecoxy(phenyl)phosphinic acid.
What is the SMILES notation for 2-hexyldodecoxy(phenyl)phosphinic acid?
The canonical SMILES for 2-hexyldodecoxy(phenyl)phosphinic acid is CCCCCCCCCCC(CCCCCC)COP(=O)(O)c1ccccc1.
What is the InChIKey of 2-hexyldodecoxy(phenyl)phosphinic acid?
The InChIKey is WYXIXIMZHQKAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43O3P/c1-3-5-7-9-10-11-12-15-19-23(18-14-8-6-4-2)22-27-28(25,26)24-20-16-13-17-21-24/h13,16-17,20-21,23H,3-12,14-15,18-19,22H2,1-2H3,(H,25,26).
What are the key properties of 2-hexyldodecoxy(phenyl)phosphinic acid?
2-hexyldodecoxy(phenyl)phosphinic acid has a molecular weight of 410.58 g/mol, XLogP of 7.63, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldodecoxy(phenyl)phosphinic acid is sourced from PubChem (CID 10223298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).