2-ethylhexoxy(hexyl)phosphinic acid

C14H31O3P — CID 141274612

IUPAC2-ethylhexoxy(hexyl)phosphinic acid
SMILESCCCCCCP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C14H31O3P/c1-4-7-9-10-12-18(15,16)17-13-14(6-3)11-8-5-2/h14H,4-13H2,1-3H3,(H,15,16)
InChIKeyZCLPBIRWXDHGDW-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.99
Rot. Bonds12

About 2-ethylhexoxy(hexyl)phosphinic acid

2-ethylhexoxy(hexyl)phosphinic acid (PubChem CID 141274612) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-ethylhexoxy(hexyl)phosphinic acid.

Molecular Properties

Compound Name2-ethylhexoxy(hexyl)phosphinic acid
PubChem CID141274612
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Name2-ethylhexoxy(hexyl)phosphinic acid
SMILESCCCCCCP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C14H31O3P/c1-4-7-9-10-12-18(15,16)17-13-14(6-3)11-8-5-2/h14H,4-13H2,1-3H3,(H,15,16)
InChIKeyZCLPBIRWXDHGDW-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.99
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

butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
dihexylphosphorylmethyl 2-ethylhexyl hydrogen phosphate
CID 100928697
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-ethylhexoxy-[(heptylamino)methyl]phosphinic acid
CID 172850560
CID 87184341
CID 87184341
CID 131883274
CID 131883274
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
1-[butyl(2-ethylhexoxy)phosphoryl]oxydodecane
CID 91716666
2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
CID 54560727

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy(hexyl)phosphinic acid?
The IUPAC name of 2-ethylhexoxy(hexyl)phosphinic acid (CID 141274612) is 2-ethylhexoxy(hexyl)phosphinic acid.
What is the SMILES notation for 2-ethylhexoxy(hexyl)phosphinic acid?
The canonical SMILES for 2-ethylhexoxy(hexyl)phosphinic acid is CCCCCCP(=O)(O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy(hexyl)phosphinic acid?
The InChIKey is ZCLPBIRWXDHGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-4-7-9-10-12-18(15,16)17-13-14(6-3)11-8-5-2/h14H,4-13H2,1-3H3,(H,15,16).
What are the key properties of 2-ethylhexoxy(hexyl)phosphinic acid?
2-ethylhexoxy(hexyl)phosphinic acid has a molecular weight of 278.37 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy(hexyl)phosphinic acid is sourced from PubChem (CID 141274612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).