butyl(ethoxy)phosphinic acid

C6H15O3P — CID 5272049

IUPACbutyl(ethoxy)phosphinic acid
SMILESCCCCP(=O)(O)OCC
InChIInChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyRDKFCARAWNLFDR-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.01
Rot. Bonds5

About butyl(ethoxy)phosphinic acid

butyl(ethoxy)phosphinic acid (PubChem CID 5272049) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is butyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(ethoxy)phosphinic acid
PubChem CID5272049
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Namebutyl(ethoxy)phosphinic acid
SMILESCCCCP(=O)(O)OCC
InChIInChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyRDKFCARAWNLFDR-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl(ethoxy)phosphinic acid?
The IUPAC name of butyl(ethoxy)phosphinic acid (CID 5272049) is butyl(ethoxy)phosphinic acid.
What is the SMILES notation for butyl(ethoxy)phosphinic acid?
The canonical SMILES for butyl(ethoxy)phosphinic acid is CCCCP(=O)(O)OCC.
What is the InChIKey of butyl(ethoxy)phosphinic acid?
The InChIKey is RDKFCARAWNLFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8).
What are the key properties of butyl(ethoxy)phosphinic acid?
butyl(ethoxy)phosphinic acid has a molecular weight of 166.16 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(ethoxy)phosphinic acid is sourced from PubChem (CID 5272049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).