ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid

C24H49O6P — CID 139813828

IUPACethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCCOCCCOC(=O)P(=O)(O)OCC
InChIInChI=1S/C24H49O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-22-20-23-29-24(25)31(26,27)30-4-2/h3-23H2,1-2H3,(H,26,27)
InChIKeyBIASYNXEDDJVGA-UHFFFAOYSA-N
MW464.62 g/mol
LogP8.01
Rot. Bonds24

About ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid

ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid (PubChem CID 139813828) has the molecular formula C24H49O6P and a molecular weight of 464.62 g/mol. Its IUPAC name is ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid
PubChem CID139813828
Molecular FormulaC24H49O6P
Molecular Weight464.62 g/mol
Exact Mass464.33
IUPAC Nameethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCCOCCCOC(=O)P(=O)(O)OCC
InChIInChI=1S/C24H49O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-22-20-23-29-24(25)31(26,27)30-4-2/h3-23H2,1-2H3,(H,26,27)
InChIKeyBIASYNXEDDJVGA-UHFFFAOYSA-N
XLogP8.01
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid
CID 87677352
3-octoxypropyl acetate
CID 21272964
potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
tris(3-pentadecoxypropyl) phosphate
CID 126525532
phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
decyl 2-diethoxyphosphorylacetate
CID 87375988

Frequently Asked Questions

What is the IUPAC name of ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid?
The IUPAC name of ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid (CID 139813828) is ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid.
What is the SMILES notation for ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid?
The canonical SMILES for ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid is CCCCCCCCCCCCCCCCCCOCCCOC(=O)P(=O)(O)OCC.
What is the InChIKey of ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid?
The InChIKey is BIASYNXEDDJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-22-20-23-29-24(25)31(26,27)30-4-2/h3-23H2,1-2H3,(H,26,27).
What are the key properties of ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid?
ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid has a molecular weight of 464.62 g/mol, XLogP of 8.01, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid is sourced from PubChem (CID 139813828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).