butane;ethoxy(hexyl)phosphinic acid

C12H29O3P — CID 174841560

IUPACbutane;ethoxy(hexyl)phosphinic acid
SMILESCCCC.CCCCCCP(=O)(O)OCC
InChIInChI=1S/C8H19O3P.C4H10/c1-3-5-6-7-8-12(9,10)11-4-2;1-3-4-2/h3-8H2,1-2H3,(H,9,10);3-4H2,1-2H3
InChIKeyHEEVASWPMOEYJG-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.59
Rot. Bonds8

About butane;ethoxy(hexyl)phosphinic acid

butane;ethoxy(hexyl)phosphinic acid (PubChem CID 174841560) has the molecular formula C12H29O3P and a molecular weight of 252.33 g/mol. Its IUPAC name is butane;ethoxy(hexyl)phosphinic acid.

Molecular Properties

Compound Namebutane;ethoxy(hexyl)phosphinic acid
PubChem CID174841560
Molecular FormulaC12H29O3P
Molecular Weight252.33 g/mol
Exact Mass252.19
IUPAC Namebutane;ethoxy(hexyl)phosphinic acid
SMILESCCCC.CCCCCCP(=O)(O)OCC
InChIInChI=1S/C8H19O3P.C4H10/c1-3-5-6-7-8-12(9,10)11-4-2;1-3-4-2/h3-8H2,1-2H3,(H,9,10);3-4H2,1-2H3
InChIKeyHEEVASWPMOEYJG-UHFFFAOYSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.59
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

ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
6-(butylamino)hexyl-ethoxyphosphinic acid
CID 155661164
ethoxy-[3-(octylamino)propyl]phosphinic acid
CID 155661215
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
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220

Frequently Asked Questions

What is the IUPAC name of butane;ethoxy(hexyl)phosphinic acid?
The IUPAC name of butane;ethoxy(hexyl)phosphinic acid (CID 174841560) is butane;ethoxy(hexyl)phosphinic acid.
What is the SMILES notation for butane;ethoxy(hexyl)phosphinic acid?
The canonical SMILES for butane;ethoxy(hexyl)phosphinic acid is CCCC.CCCCCCP(=O)(O)OCC.
What is the InChIKey of butane;ethoxy(hexyl)phosphinic acid?
The InChIKey is HEEVASWPMOEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.C4H10/c1-3-5-6-7-8-12(9,10)11-4-2;1-3-4-2/h3-8H2,1-2H3,(H,9,10);3-4H2,1-2H3.
What are the key properties of butane;ethoxy(hexyl)phosphinic acid?
butane;ethoxy(hexyl)phosphinic acid has a molecular weight of 252.33 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethoxy(hexyl)phosphinic acid is sourced from PubChem (CID 174841560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).