phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury

C32H26Hg2O9 — CID 138394745

IUPACphenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury
SMILESO=C(OCCOCCOC(=O)c1ccccc1C(=O)O[Hg]c1ccccc1)c1ccccc1C(=O)O[Hg]c1ccccc1
InChIInChI=1S/C20H18O9.2C6H5.2Hg/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24;2*1-2-4-6-5-3-1;;/h1-8H,9-12H2,(H,21,22)(H,23,24);2*1-5H;;/q;;;2*+1/p-2
InChIKeyOMNHRGVZCRDKHO-UHFFFAOYSA-L
MW955.73 g/mol
LogP3.68
Rot. Bonds14

About phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury

phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury (PubChem CID 138394745) has the molecular formula C32H26Hg2O9 and a molecular weight of 955.73 g/mol. Its IUPAC name is phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury.

Molecular Properties

Compound Namephenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury
PubChem CID138394745
Molecular FormulaC32H26Hg2O9
Molecular Weight955.73 g/mol
Exact Mass958.10
IUPAC Namephenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury
SMILESO=C(OCCOCCOC(=O)c1ccccc1C(=O)O[Hg]c1ccccc1)c1ccccc1C(=O)O[Hg]c1ccccc1
InChIInChI=1S/C20H18O9.2C6H5.2Hg/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24;2*1-2-4-6-5-3-1;;/h1-8H,9-12H2,(H,21,22)(H,23,24);2*1-5H;;/q;;;2*+1/p-2
InChIKeyOMNHRGVZCRDKHO-UHFFFAOYSA-L
XLogP3.68
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500955.73
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury?
The IUPAC name of phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury (CID 138394745) is phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury.
What is the SMILES notation for phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury?
The canonical SMILES for phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury is O=C(OCCOCCOC(=O)c1ccccc1C(=O)O[Hg]c1ccccc1)c1ccccc1C(=O)O[Hg]c1ccccc1.
What is the InChIKey of phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury?
The InChIKey is OMNHRGVZCRDKHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H18O9.2C6H5.2Hg/c21-17(22)13-5-1-3-7-15(13)19(25)28-11-9-27-10-12-29-20(26)16-8-4-2-6-14(16)18(23)24;2*1-2-4-6-5-3-1;;/h1-8H,9-12H2,(H,21,22)(H,23,24);2*1-5H;;/q;;;2*+1/p-2.
What are the key properties of phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury?
phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury has a molecular weight of 955.73 g/mol, XLogP of 3.68, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[2-[2-[2-(phenylmercuriooxycarbonyl)benzoyl]oxyethoxy]ethoxycarbonyl]benzoyl]oxymercury is sourced from PubChem (CID 138394745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).