hexoxy(hexoxymethyl)phosphinic acid

C13H29O4P — CID 12573393

IUPAChexoxy(hexoxymethyl)phosphinic acid
SMILESCCCCCCOCP(=O)(O)OCCCCCC
InChIInChI=1S/C13H29O4P/c1-3-5-7-9-11-16-13-18(14,15)17-12-10-8-6-4-2/h3-13H2,1-2H3,(H,14,15)
InChIKeyXCGMHIDMIXSBEC-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.32
Rot. Bonds13

About hexoxy(hexoxymethyl)phosphinic acid

hexoxy(hexoxymethyl)phosphinic acid (PubChem CID 12573393) has the molecular formula C13H29O4P and a molecular weight of 280.34 g/mol. Its IUPAC name is hexoxy(hexoxymethyl)phosphinic acid.

Molecular Properties

Compound Namehexoxy(hexoxymethyl)phosphinic acid
PubChem CID12573393
Molecular FormulaC13H29O4P
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC Namehexoxy(hexoxymethyl)phosphinic acid
SMILESCCCCCCOCP(=O)(O)OCCCCCC
InChIInChI=1S/C13H29O4P/c1-3-5-7-9-11-16-13-18(14,15)17-12-10-8-6-4-2/h3-13H2,1-2H3,(H,14,15)
InChIKeyXCGMHIDMIXSBEC-UHFFFAOYSA-N
XLogP4.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.32
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

2-[[hydroxy(pentadecoxy)phosphoryl]methoxy]ethyl-trimethylazanium
CID 10046997
butyl(decoxy)phosphinic acid
CID 139947140
heptoxy(octadecyl)phosphinic acid
CID 139947141
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;octadecyl dihydrogen phosphate
CID 175059517
pentatriacontyl dihydrogen phosphate
CID 164897229
decyl dodecyl hydrogen phosphate
CID 20810618
octatriacontyl dihydrogen phosphate
CID 140979287
hexyl nonyl hydrogen phosphate
CID 23169649

Frequently Asked Questions

What is the IUPAC name of hexoxy(hexoxymethyl)phosphinic acid?
The IUPAC name of hexoxy(hexoxymethyl)phosphinic acid (CID 12573393) is hexoxy(hexoxymethyl)phosphinic acid.
What is the SMILES notation for hexoxy(hexoxymethyl)phosphinic acid?
The canonical SMILES for hexoxy(hexoxymethyl)phosphinic acid is CCCCCCOCP(=O)(O)OCCCCCC.
What is the InChIKey of hexoxy(hexoxymethyl)phosphinic acid?
The InChIKey is XCGMHIDMIXSBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O4P/c1-3-5-7-9-11-16-13-18(14,15)17-12-10-8-6-4-2/h3-13H2,1-2H3,(H,14,15).
What are the key properties of hexoxy(hexoxymethyl)phosphinic acid?
hexoxy(hexoxymethyl)phosphinic acid has a molecular weight of 280.34 g/mol, XLogP of 4.32, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy(hexoxymethyl)phosphinic acid is sourced from PubChem (CID 12573393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).