2-hydroxyethoxy(tetradecyl)phosphinate

C16H34O4P- — CID 71443061

IUPAC2-hydroxyethoxy(tetradecyl)phosphinate
SMILESCCCCCCCCCCCCCCP(=O)([O-])OCCO
InChIInChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(18,19)20-15-14-17/h17H,2-16H2,1H3,(H,18,19)/p-1
InChIKeyWYYTUFILGMUKPT-UHFFFAOYSA-M
MW321.42 g/mol
LogP4.25
Rot. Bonds16

About 2-hydroxyethoxy(tetradecyl)phosphinate

2-hydroxyethoxy(tetradecyl)phosphinate (PubChem CID 71443061) has the molecular formula C16H34O4P- and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-hydroxyethoxy(tetradecyl)phosphinate.

Molecular Properties

Compound Name2-hydroxyethoxy(tetradecyl)phosphinate
PubChem CID71443061
Molecular FormulaC16H34O4P-
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name2-hydroxyethoxy(tetradecyl)phosphinate
SMILESCCCCCCCCCCCCCCP(=O)([O-])OCCO
InChIInChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(18,19)20-15-14-17/h17H,2-16H2,1H3,(H,18,19)/p-1
InChIKeyWYYTUFILGMUKPT-UHFFFAOYSA-M
XLogP4.25
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
sodium octoxy(octyl)phosphinate
CID 139819934
sodium ethoxy(tridecyl)phosphinate
CID 90661205
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
tripotassium;2-tridecoxyethanol;phosphate
CID 22833352
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052
trisodium;bis(2-(2-dodecoxyethoxy)ethanol);phosphate
CID 173332981
trisodium;2-(2-nonoxyethoxy)ethanol;phosphate
CID 173390917
azanium fluorooxy(hexyl)phosphinate
CID 140648899

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethoxy(tetradecyl)phosphinate?
The IUPAC name of 2-hydroxyethoxy(tetradecyl)phosphinate (CID 71443061) is 2-hydroxyethoxy(tetradecyl)phosphinate.
What is the SMILES notation for 2-hydroxyethoxy(tetradecyl)phosphinate?
The canonical SMILES for 2-hydroxyethoxy(tetradecyl)phosphinate is CCCCCCCCCCCCCCP(=O)([O-])OCCO.
What is the InChIKey of 2-hydroxyethoxy(tetradecyl)phosphinate?
The InChIKey is WYYTUFILGMUKPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(18,19)20-15-14-17/h17H,2-16H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-hydroxyethoxy(tetradecyl)phosphinate?
2-hydroxyethoxy(tetradecyl)phosphinate has a molecular weight of 321.42 g/mol, XLogP of 4.25, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethoxy(tetradecyl)phosphinate is sourced from PubChem (CID 71443061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).