8-oxo-8-phenylselanyloxyoctanoic acid

C14H18O4Se — CID 174726782

IUPAC8-oxo-8-phenylselanyloxyoctanoic acid
SMILESO=C(O)CCCCCCC(=O)O[Se]c1ccccc1
InChIInChI=1S/C14H18O4Se/c15-13(16)10-6-1-2-7-11-14(17)18-19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)
InChIKeyGSAFTTLRSGTHIK-UHFFFAOYSA-N
MW329.25 g/mol
LogP1.90
Rot. Bonds9

About 8-oxo-8-phenylselanyloxyoctanoic acid

8-oxo-8-phenylselanyloxyoctanoic acid (PubChem CID 174726782) has the molecular formula C14H18O4Se and a molecular weight of 329.25 g/mol. Its IUPAC name is 8-oxo-8-phenylselanyloxyoctanoic acid.

Molecular Properties

Compound Name8-oxo-8-phenylselanyloxyoctanoic acid
PubChem CID174726782
Molecular FormulaC14H18O4Se
Molecular Weight329.25 g/mol
Exact Mass330.04
IUPAC Name8-oxo-8-phenylselanyloxyoctanoic acid
SMILESO=C(O)CCCCCCC(=O)O[Se]c1ccccc1
InChIInChI=1S/C14H18O4Se/c15-13(16)10-6-1-2-7-11-14(17)18-19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16)
InChIKeyGSAFTTLRSGTHIK-UHFFFAOYSA-N
XLogP1.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
decanedioic acid;phthalic acid
CID 67564124
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
9-phenoxynonanoic acid
CID 15887638
9-(8-carboxyoctanoyloxyperoxy)-9-oxononanoic acid
CID 156540540
15-phenylpentadecanoic acid
CID 2737151
diphenyl nonanedioate
CID 18428919
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046

Frequently Asked Questions

What is the IUPAC name of 8-oxo-8-phenylselanyloxyoctanoic acid?
The IUPAC name of 8-oxo-8-phenylselanyloxyoctanoic acid (CID 174726782) is 8-oxo-8-phenylselanyloxyoctanoic acid.
What is the SMILES notation for 8-oxo-8-phenylselanyloxyoctanoic acid?
The canonical SMILES for 8-oxo-8-phenylselanyloxyoctanoic acid is O=C(O)CCCCCCC(=O)O[Se]c1ccccc1.
What is the InChIKey of 8-oxo-8-phenylselanyloxyoctanoic acid?
The InChIKey is GSAFTTLRSGTHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4Se/c15-13(16)10-6-1-2-7-11-14(17)18-19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,15,16).
What are the key properties of 8-oxo-8-phenylselanyloxyoctanoic acid?
8-oxo-8-phenylselanyloxyoctanoic acid has a molecular weight of 329.25 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-8-phenylselanyloxyoctanoic acid is sourced from PubChem (CID 174726782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).