hexyl(pentoxy)phosphinic acid

C11H25O3P — CID 139947056

IUPAChexyl(pentoxy)phosphinic acid
SMILESCCCCCCP(=O)(O)OCCCCC
InChIInChI=1S/C11H25O3P/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3,(H,12,13)
InChIKeyYGUSECXWBYFLQI-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.96
Rot. Bonds10

About hexyl(pentoxy)phosphinic acid

hexyl(pentoxy)phosphinic acid (PubChem CID 139947056) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is hexyl(pentoxy)phosphinic acid.

Molecular Properties

Compound Namehexyl(pentoxy)phosphinic acid
PubChem CID139947056
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Namehexyl(pentoxy)phosphinic acid
SMILESCCCCCCP(=O)(O)OCCCCC
InChIInChI=1S/C11H25O3P/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3,(H,12,13)
InChIKeyYGUSECXWBYFLQI-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.96
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

heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
2-[hydroxy(pentadecyl)phosphoryl]oxyethyl-trimethylazanium
CID 135313648
2-[hydroxy(icosyl)phosphoryl]oxyethyl-trimethylazanium
CID 174480376
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907

Frequently Asked Questions

What is the IUPAC name of hexyl(pentoxy)phosphinic acid?
The IUPAC name of hexyl(pentoxy)phosphinic acid (CID 139947056) is hexyl(pentoxy)phosphinic acid.
What is the SMILES notation for hexyl(pentoxy)phosphinic acid?
The canonical SMILES for hexyl(pentoxy)phosphinic acid is CCCCCCP(=O)(O)OCCCCC.
What is the InChIKey of hexyl(pentoxy)phosphinic acid?
The InChIKey is YGUSECXWBYFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-3-5-7-9-11-15(12,13)14-10-8-6-4-2/h3-11H2,1-2H3,(H,12,13).
What are the key properties of hexyl(pentoxy)phosphinic acid?
hexyl(pentoxy)phosphinic acid has a molecular weight of 236.29 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(pentoxy)phosphinic acid is sourced from PubChem (CID 139947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).