dihydroxy(oxo)phosphanium;octanoic acid

C8H18O5P+ — CID 158603772

IUPACdihydroxy(oxo)phosphanium;octanoic acid
SMILESCCCCCCCC(=O)O.O=[P+](O)O
InChIInChI=1S/C8H16O2.HO3P/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);(H-,1,2,3)/p+1
InChIKeyXKBPSUHLXUQACS-UHFFFAOYSA-O
MW225.20 g/mol
LogP2.06
Rot. Bonds6

About dihydroxy(oxo)phosphanium;octanoic acid

dihydroxy(oxo)phosphanium;octanoic acid (PubChem CID 158603772) has the molecular formula C8H18O5P+ and a molecular weight of 225.20 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;octanoic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;octanoic acid
PubChem CID158603772
Molecular FormulaC8H18O5P+
Molecular Weight225.20 g/mol
Exact Mass225.09
IUPAC Namedihydroxy(oxo)phosphanium;octanoic acid
SMILESCCCCCCCC(=O)O.O=[P+](O)O
InChIInChI=1S/C8H16O2.HO3P/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);(H-,1,2,3)/p+1
InChIKeyXKBPSUHLXUQACS-UHFFFAOYSA-O
XLogP2.06
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.06
H-Bond Donors ≤ 53
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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;octanoic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;octanoic acid (CID 158603772) is dihydroxy(oxo)phosphanium;octanoic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;octanoic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;octanoic acid is CCCCCCCC(=O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;octanoic acid?
The InChIKey is XKBPSUHLXUQACS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16O2.HO3P/c1-2-3-4-5-6-7-8(9)10;1-4(2)3/h2-7H2,1H3,(H,9,10);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;octanoic acid?
dihydroxy(oxo)phosphanium;octanoic acid has a molecular weight of 225.20 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;octanoic acid is sourced from PubChem (CID 158603772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).