dodecyl(nonoxy)phosphinic acid

C21H45O3P — CID 139947157

IUPACdodecyl(nonoxy)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)OCCCCCCCCC
InChIInChI=1S/C21H45O3P/c1-3-5-7-9-11-12-13-15-17-19-21-25(22,23)24-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3,(H,22,23)
InChIKeyMDPUIYJUIJJYLY-UHFFFAOYSA-N
MW376.56 g/mol
LogP7.86
Rot. Bonds20

About dodecyl(nonoxy)phosphinic acid

dodecyl(nonoxy)phosphinic acid (PubChem CID 139947157) has the molecular formula C21H45O3P and a molecular weight of 376.56 g/mol. Its IUPAC name is dodecyl(nonoxy)phosphinic acid.

Molecular Properties

Compound Namedodecyl(nonoxy)phosphinic acid
PubChem CID139947157
Molecular FormulaC21H45O3P
Molecular Weight376.56 g/mol
Exact Mass376.31
IUPAC Namedodecyl(nonoxy)phosphinic acid
SMILESCCCCCCCCCCCCP(=O)(O)OCCCCCCCCC
InChIInChI=1S/C21H45O3P/c1-3-5-7-9-11-12-13-15-17-19-21-25(22,23)24-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3,(H,22,23)
InChIKeyMDPUIYJUIJJYLY-UHFFFAOYSA-N
XLogP7.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 57.86
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

heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
2-[hydroxy(pentadecyl)phosphoryl]oxyethyl-trimethylazanium
CID 135313648
2-[hydroxy(icosyl)phosphoryl]oxyethyl-trimethylazanium
CID 174480376
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907

Frequently Asked Questions

What is the IUPAC name of dodecyl(nonoxy)phosphinic acid?
The IUPAC name of dodecyl(nonoxy)phosphinic acid (CID 139947157) is dodecyl(nonoxy)phosphinic acid.
What is the SMILES notation for dodecyl(nonoxy)phosphinic acid?
The canonical SMILES for dodecyl(nonoxy)phosphinic acid is CCCCCCCCCCCCP(=O)(O)OCCCCCCCCC.
What is the InChIKey of dodecyl(nonoxy)phosphinic acid?
The InChIKey is MDPUIYJUIJJYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O3P/c1-3-5-7-9-11-12-13-15-17-19-21-25(22,23)24-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3,(H,22,23).
What are the key properties of dodecyl(nonoxy)phosphinic acid?
dodecyl(nonoxy)phosphinic acid has a molecular weight of 376.56 g/mol, XLogP of 7.86, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(nonoxy)phosphinic acid is sourced from PubChem (CID 139947157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).