butoxy(tert-butyl)phosphinic acid

C8H19O3P — CID 15271226

IUPACbutoxy(tert-butyl)phosphinic acid
SMILESCCCCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P/c1-5-6-7-11-12(9,10)8(2,3)4/h5-7H2,1-4H3,(H,9,10)
InChIKeyFMEFRBQKMCXKJH-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.79
Rot. Bonds4

About butoxy(tert-butyl)phosphinic acid

butoxy(tert-butyl)phosphinic acid (PubChem CID 15271226) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is butoxy(tert-butyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy(tert-butyl)phosphinic acid
PubChem CID15271226
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Namebutoxy(tert-butyl)phosphinic acid
SMILESCCCCOP(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O3P/c1-5-6-7-11-12(9,10)8(2,3)4/h5-7H2,1-4H3,(H,9,10)
InChIKeyFMEFRBQKMCXKJH-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.79
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

tert-butyl(5,5-dimethylhexoxy)phosphinic acid
CID 171719302
dibutyl hydrogen phosphate
CID 158586372
1-[tert-butyl(methyl)phosphoryl]oxybutane
CID 89041281
tert-butyl-[6-(tetradecanoylamino)hexoxy]phosphinic acid
CID 170389736
azane;butyl dihydrogen phosphate
CID 173333807
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butoxy(ethyl)phosphinic acid
CID 71353007
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
2-[butoxy(hydroxy)phosphoryl]-3-butyl-3-methyl-2-propylheptanoic acid
CID 151644791
butyl heptyl hydrogen phosphate
CID 86151412
butoxy-N-(2-methylbutan-2-yl)phosphonamidic acid
CID 146414788
ethane-1,1,1,2,2,2-hexol;hexadecyl dihydrogen phosphate
CID 175196460

Frequently Asked Questions

What is the IUPAC name of butoxy(tert-butyl)phosphinic acid?
The IUPAC name of butoxy(tert-butyl)phosphinic acid (CID 15271226) is butoxy(tert-butyl)phosphinic acid.
What is the SMILES notation for butoxy(tert-butyl)phosphinic acid?
The canonical SMILES for butoxy(tert-butyl)phosphinic acid is CCCCOP(=O)(O)C(C)(C)C.
What is the InChIKey of butoxy(tert-butyl)phosphinic acid?
The InChIKey is FMEFRBQKMCXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-5-6-7-11-12(9,10)8(2,3)4/h5-7H2,1-4H3,(H,9,10).
What are the key properties of butoxy(tert-butyl)phosphinic acid?
butoxy(tert-butyl)phosphinic acid has a molecular weight of 194.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(tert-butyl)phosphinic acid is sourced from PubChem (CID 15271226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).