butyl(2-ethylhexoxy)phosphinic acid

C12H27O3P — CID 57079247

IUPACbutyl(2-ethylhexoxy)phosphinic acid
SMILESCCCCC(CC)COP(=O)(O)CCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-12(6-3)11-15-16(13,14)10-8-5-2/h12H,4-11H2,1-3H3,(H,13,14)
InChIKeyJBYFDUVZBHFOOX-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.20
Rot. Bonds10

About butyl(2-ethylhexoxy)phosphinic acid

butyl(2-ethylhexoxy)phosphinic acid (PubChem CID 57079247) has the molecular formula C12H27O3P and a molecular weight of 250.32 g/mol. Its IUPAC name is butyl(2-ethylhexoxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(2-ethylhexoxy)phosphinic acid
PubChem CID57079247
Molecular FormulaC12H27O3P
Molecular Weight250.32 g/mol
Exact Mass250.17
IUPAC Namebutyl(2-ethylhexoxy)phosphinic acid
SMILESCCCCC(CC)COP(=O)(O)CCCC
InChIInChI=1S/C12H27O3P/c1-4-7-9-12(6-3)11-15-16(13,14)10-8-5-2/h12H,4-11H2,1-3H3,(H,13,14)
InChIKeyJBYFDUVZBHFOOX-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.20
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

2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
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
3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane
CID 91716456
2-ethylhexoxy-[(heptylamino)methyl]phosphinic acid
CID 172850560
bis(2-ethyloctyl) hydrogen phosphate
CID 15134822
2-ethylhexyl(2-methylpropoxy)phosphinic acid
CID 14088722
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551

Frequently Asked Questions

What is the IUPAC name of butyl(2-ethylhexoxy)phosphinic acid?
The IUPAC name of butyl(2-ethylhexoxy)phosphinic acid (CID 57079247) is butyl(2-ethylhexoxy)phosphinic acid.
What is the SMILES notation for butyl(2-ethylhexoxy)phosphinic acid?
The canonical SMILES for butyl(2-ethylhexoxy)phosphinic acid is CCCCC(CC)COP(=O)(O)CCCC.
What is the InChIKey of butyl(2-ethylhexoxy)phosphinic acid?
The InChIKey is JBYFDUVZBHFOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3P/c1-4-7-9-12(6-3)11-15-16(13,14)10-8-5-2/h12H,4-11H2,1-3H3,(H,13,14).
What are the key properties of butyl(2-ethylhexoxy)phosphinic acid?
butyl(2-ethylhexoxy)phosphinic acid has a molecular weight of 250.32 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(2-ethylhexoxy)phosphinic acid is sourced from PubChem (CID 57079247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).