butyl(hexoxy)phosphinic acid

C10H23O3P — CID 15271220

IUPACbutyl(hexoxy)phosphinic acid
SMILESCCCCCCOP(=O)(O)CCCC
InChIInChI=1S/C10H23O3P/c1-3-5-7-8-9-13-14(11,12)10-6-4-2/h3-10H2,1-2H3,(H,11,12)
InChIKeyOTJMINNZRLLPPG-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.57
Rot. Bonds9

About butyl(hexoxy)phosphinic acid

butyl(hexoxy)phosphinic acid (PubChem CID 15271220) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is butyl(hexoxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(hexoxy)phosphinic acid
PubChem CID15271220
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Namebutyl(hexoxy)phosphinic acid
SMILESCCCCCCOP(=O)(O)CCCC
InChIInChI=1S/C10H23O3P/c1-3-5-7-8-9-13-14(11,12)10-6-4-2/h3-10H2,1-2H3,(H,11,12)
InChIKeyOTJMINNZRLLPPG-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.57
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

butyl(decoxy)phosphinic acid
CID 139947140
heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907
decyl dodecyl hydrogen phosphate
CID 20810618
pentatriacontyl dihydrogen phosphate
CID 164897229
octatriacontyl dihydrogen phosphate
CID 140979287

Frequently Asked Questions

What is the IUPAC name of butyl(hexoxy)phosphinic acid?
The IUPAC name of butyl(hexoxy)phosphinic acid (CID 15271220) is butyl(hexoxy)phosphinic acid.
What is the SMILES notation for butyl(hexoxy)phosphinic acid?
The canonical SMILES for butyl(hexoxy)phosphinic acid is CCCCCCOP(=O)(O)CCCC.
What is the InChIKey of butyl(hexoxy)phosphinic acid?
The InChIKey is OTJMINNZRLLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-3-5-7-8-9-13-14(11,12)10-6-4-2/h3-10H2,1-2H3,(H,11,12).
What are the key properties of butyl(hexoxy)phosphinic acid?
butyl(hexoxy)phosphinic acid has a molecular weight of 222.26 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(hexoxy)phosphinic acid is sourced from PubChem (CID 15271220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).