chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury

C9H18ClHgNO2 — CID 3029297

IUPACchloro-[2-methoxy-3-(pentanoylamino)propyl]mercury
SMILESCCCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C9H18NO2.ClH.Hg/c1-4-5-6-9(11)10-7-8(2)12-3;;/h8H,2,4-7H2,1,3H3,(H,10,11);1H;/q;;+1/p-1
InChIKeyAHHJMDSHLDXHSZ-UHFFFAOYSA-M
MW408.29 g/mol
LogP1.96
Rot. Bonds8

About chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury

chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury (PubChem CID 3029297) has the molecular formula C9H18ClHgNO2 and a molecular weight of 408.29 g/mol. Its IUPAC name is chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury.

Molecular Properties

Compound Namechloro-[2-methoxy-3-(pentanoylamino)propyl]mercury
PubChem CID3029297
Molecular FormulaC9H18ClHgNO2
Molecular Weight408.29 g/mol
Exact Mass409.07
IUPAC Namechloro-[2-methoxy-3-(pentanoylamino)propyl]mercury
SMILESCCCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C9H18NO2.ClH.Hg/c1-4-5-6-9(11)10-7-8(2)12-3;;/h8H,2,4-7H2,1,3H3,(H,10,11);1H;/q;;+1/p-1
InChIKeyAHHJMDSHLDXHSZ-UHFFFAOYSA-M
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury?
The IUPAC name of chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury (CID 3029297) is chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury.
What is the SMILES notation for chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury?
The canonical SMILES for chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury is CCCCC(=O)NCC(C[Hg]Cl)OC.
What is the InChIKey of chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury?
The InChIKey is AHHJMDSHLDXHSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.ClH.Hg/c1-4-5-6-9(11)10-7-8(2)12-3;;/h8H,2,4-7H2,1,3H3,(H,10,11);1H;/q;;+1/p-1.
What are the key properties of chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury?
chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury has a molecular weight of 408.29 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-methoxy-3-(pentanoylamino)propyl]mercury is sourced from PubChem (CID 3029297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).