ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid

C24H49O6P — CID 87677352

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

About ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid

ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid (PubChem CID 87677352) has the molecular formula C24H49O6P and a molecular weight of 464.62 g/mol. Its IUPAC name is ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid.

Molecular Properties

Compound Nameethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid
PubChem CID87677352
Molecular FormulaC24H49O6P
Molecular Weight464.62 g/mol
Exact Mass464.33
IUPAC Nameethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid
SMILESCCCCCCCCCCCCCCCCCCOCCCOP(=O)(O)C(=O)OCC
InChIInChI=1S/C24H49O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-22-20-23-30-31(26,27)24(25)29-4-2/h3-23H2,1-2H3,(H,26,27)
InChIKeyTVOMFUZACLPVQL-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

ethoxy(3-octadecoxypropoxycarbonyl)phosphinic acid
CID 139813828
tris(3-pentadecoxypropyl) phosphate
CID 126525532
potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
ethoxyethane;hexadecyl dihydrogen phosphate
CID 87093984
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
hexadecyl hexyl hydrogen phosphate
CID 15132676

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid?
The IUPAC name of ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid (CID 87677352) is ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid.
What is the SMILES notation for ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid?
The canonical SMILES for ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid is CCCCCCCCCCCCCCCCCCOCCCOP(=O)(O)C(=O)OCC.
What is the InChIKey of ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid?
The InChIKey is TVOMFUZACLPVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-22-20-23-30-31(26,27)24(25)29-4-2/h3-23H2,1-2H3,(H,26,27).
What are the key properties of ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid?
ethoxycarbonyl(3-octadecoxypropoxy)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 ethoxycarbonyl(3-octadecoxypropoxy)phosphinic acid is sourced from PubChem (CID 87677352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).