2-decylhexadecyl(phenyl)phosphinic acid

C32H59O2P — CID 143870973

IUPAC2-decylhexadecyl(phenyl)phosphinic acid
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCC)CP(=O)(O)c1ccccc1
InChIInChI=1S/C32H59O2P/c1-3-5-7-9-11-13-14-15-16-18-20-23-27-31(26-22-19-17-12-10-8-6-4-2)30-35(33,34)32-28-24-21-25-29-32/h21,24-25,28-29,31H,3-20,22-23,26-27,30H2,1-2H3,(H,33,34)
InChIKeyYXHLBCBTFZADRX-UHFFFAOYSA-N
MW506.80 g/mol
LogP10.82
Rot. Bonds25

About 2-decylhexadecyl(phenyl)phosphinic acid

2-decylhexadecyl(phenyl)phosphinic acid (PubChem CID 143870973) has the molecular formula C32H59O2P and a molecular weight of 506.80 g/mol. Its IUPAC name is 2-decylhexadecyl(phenyl)phosphinic acid.

Molecular Properties

Compound Name2-decylhexadecyl(phenyl)phosphinic acid
PubChem CID143870973
Molecular FormulaC32H59O2P
Molecular Weight506.80 g/mol
Exact Mass506.43
IUPAC Name2-decylhexadecyl(phenyl)phosphinic acid
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCC)CP(=O)(O)c1ccccc1
InChIInChI=1S/C32H59O2P/c1-3-5-7-9-11-13-14-15-16-18-20-23-27-31(26-22-19-17-12-10-8-6-4-2)30-35(33,34)32-28-24-21-25-29-32/h21,24-25,28-29,31H,3-20,22-23,26-27,30H2,1-2H3,(H,33,34)
InChIKeyYXHLBCBTFZADRX-UHFFFAOYSA-N
XLogP10.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.80
LogP ≤ 510.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
2-methylpropyl(phenyl)phosphinic acid
CID 793404
2-benzyltetradecylbenzene
CID 22920205
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
2-benzyloctadecan-1-ol
CID 67814123
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
hexyl(triphenyl)phosphanium
CID 2724570
3-benzylheptadecan-1-ol
CID 70425860
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
3-benzylpentadecan-1-ol
CID 174933241

Frequently Asked Questions

What is the IUPAC name of 2-decylhexadecyl(phenyl)phosphinic acid?
The IUPAC name of 2-decylhexadecyl(phenyl)phosphinic acid (CID 143870973) is 2-decylhexadecyl(phenyl)phosphinic acid.
What is the SMILES notation for 2-decylhexadecyl(phenyl)phosphinic acid?
The canonical SMILES for 2-decylhexadecyl(phenyl)phosphinic acid is CCCCCCCCCCCCCCC(CCCCCCCCCC)CP(=O)(O)c1ccccc1.
What is the InChIKey of 2-decylhexadecyl(phenyl)phosphinic acid?
The InChIKey is YXHLBCBTFZADRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59O2P/c1-3-5-7-9-11-13-14-15-16-18-20-23-27-31(26-22-19-17-12-10-8-6-4-2)30-35(33,34)32-28-24-21-25-29-32/h21,24-25,28-29,31H,3-20,22-23,26-27,30H2,1-2H3,(H,33,34).
What are the key properties of 2-decylhexadecyl(phenyl)phosphinic acid?
2-decylhexadecyl(phenyl)phosphinic acid has a molecular weight of 506.80 g/mol, XLogP of 10.82, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylhexadecyl(phenyl)phosphinic acid is sourced from PubChem (CID 143870973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).