butoxy(ethyl)phosphinic acid

C6H15O3P — CID 71353007

IUPACbutoxy(ethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CC
InChIInChI=1S/C6H15O3P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyZATJRDFVXWVKJO-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.01
Rot. Bonds5

About butoxy(ethyl)phosphinic acid

butoxy(ethyl)phosphinic acid (PubChem CID 71353007) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is butoxy(ethyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy(ethyl)phosphinic acid
PubChem CID71353007
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Namebutoxy(ethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CC
InChIInChI=1S/C6H15O3P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3,(H,7,8)
InChIKeyZATJRDFVXWVKJO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutyl hydrogen phosphate
CID 158586372
azane;butyl dihydrogen phosphate
CID 173333807
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl heptyl hydrogen phosphate
CID 86151412
iron;octadecyl dihydrogen phosphate
CID 175059517

Frequently Asked Questions

What is the IUPAC name of butoxy(ethyl)phosphinic acid?
The IUPAC name of butoxy(ethyl)phosphinic acid (CID 71353007) is butoxy(ethyl)phosphinic acid.
What is the SMILES notation for butoxy(ethyl)phosphinic acid?
The canonical SMILES for butoxy(ethyl)phosphinic acid is CCCCOP(=O)(O)CC.
What is the InChIKey of butoxy(ethyl)phosphinic acid?
The InChIKey is ZATJRDFVXWVKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-3-5-6-9-10(7,8)4-2/h3-6H2,1-2H3,(H,7,8).
What are the key properties of butoxy(ethyl)phosphinic acid?
butoxy(ethyl)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 butoxy(ethyl)phosphinic acid is sourced from PubChem (CID 71353007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).