2-ethylhexyl(2-methylpropoxy)phosphinic acid

C12H27O3P — CID 14088722

IUPAC2-ethylhexyl(2-methylpropoxy)phosphinic acid
SMILESCCCCC(CC)CP(=O)(O)OCC(C)C
InChIInChI=1S/C12H27O3P/c1-5-7-8-12(6-2)10-16(13,14)15-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyRKBVXOXKQHYFNX-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.06
Rot. Bonds9

About 2-ethylhexyl(2-methylpropoxy)phosphinic acid

2-ethylhexyl(2-methylpropoxy)phosphinic acid (PubChem CID 14088722) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-ethylhexyl(2-methylpropoxy)phosphinic acid.

Molecular Properties

Compound Name2-ethylhexyl(2-methylpropoxy)phosphinic acid
PubChem CID14088722
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Name2-ethylhexyl(2-methylpropoxy)phosphinic acid
SMILESCCCCC(CC)CP(=O)(O)OCC(C)C
InChIInChI=1S/C12H27O3P/c1-5-7-8-12(6-2)10-16(13,14)15-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,14)
InChIKeyRKBVXOXKQHYFNX-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
CID 87184341
CID 87184341
CID 131883274
CID 131883274
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
bis(2-ethylhexyl) hydrogen phosphate;2-chloropropanoic acid
CID 174379477
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
2-ethylhexyl 8-methylnonyl hydrogen phosphate
CID 174470689
2-ethylhexoxy-[(heptylamino)methyl]phosphinic acid
CID 172850560
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl(2-methylpropoxy)phosphinic acid?
The IUPAC name of 2-ethylhexyl(2-methylpropoxy)phosphinic acid (CID 14088722) is 2-ethylhexyl(2-methylpropoxy)phosphinic acid.
What is the SMILES notation for 2-ethylhexyl(2-methylpropoxy)phosphinic acid?
The canonical SMILES for 2-ethylhexyl(2-methylpropoxy)phosphinic acid is CCCCC(CC)CP(=O)(O)OCC(C)C.
What is the InChIKey of 2-ethylhexyl(2-methylpropoxy)phosphinic acid?
The InChIKey is RKBVXOXKQHYFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-5-7-8-12(6-2)10-16(13,14)15-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,14).
What are the key properties of 2-ethylhexyl(2-methylpropoxy)phosphinic acid?
2-ethylhexyl(2-methylpropoxy)phosphinic acid has a molecular weight of 250.32 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl(2-methylpropoxy)phosphinic acid is sourced from PubChem (CID 14088722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).