iodo-[(E)-3-phenylprop-2-enyl]mercury

C9H9HgI — CID 14225385

IUPACiodo-[(E)-3-phenylprop-2-enyl]mercury
SMILESI[Hg]C/C=C/c1ccccc1
InChIInChI=1S/C9H9.Hg.HI/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H2;;1H/q;+1;/p-1/b6-2+;;
InChIKeyWBPPKPQIBDXMSM-UKBMIWHLSA-M
MW444.67 g/mol
LogP3.55
Rot. Bonds3

About iodo-[(E)-3-phenylprop-2-enyl]mercury

iodo-[(E)-3-phenylprop-2-enyl]mercury (PubChem CID 14225385) has the molecular formula C9H9HgI and a molecular weight of 444.67 g/mol. Its IUPAC name is iodo-[(E)-3-phenylprop-2-enyl]mercury.

Molecular Properties

Compound Nameiodo-[(E)-3-phenylprop-2-enyl]mercury
PubChem CID14225385
Molecular FormulaC9H9HgI
Molecular Weight444.67 g/mol
Exact Mass445.95
IUPAC Nameiodo-[(E)-3-phenylprop-2-enyl]mercury
SMILESI[Hg]C/C=C/c1ccccc1
InChIInChI=1S/C9H9.Hg.HI/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H2;;1H/q;+1;/p-1/b6-2+;;
InChIKeyWBPPKPQIBDXMSM-UKBMIWHLSA-M
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
(E)-5-phenylpent-4-enal
CID 11105652
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
CID 10375808
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of iodo-[(E)-3-phenylprop-2-enyl]mercury?
The IUPAC name of iodo-[(E)-3-phenylprop-2-enyl]mercury (CID 14225385) is iodo-[(E)-3-phenylprop-2-enyl]mercury.
What is the SMILES notation for iodo-[(E)-3-phenylprop-2-enyl]mercury?
The canonical SMILES for iodo-[(E)-3-phenylprop-2-enyl]mercury is I[Hg]C/C=C/c1ccccc1.
What is the InChIKey of iodo-[(E)-3-phenylprop-2-enyl]mercury?
The InChIKey is WBPPKPQIBDXMSM-UKBMIWHLSA-M. The full InChI is InChI=1S/C9H9.Hg.HI/c1-2-6-9-7-4-3-5-8-9;;/h2-8H,1H2;;1H/q;+1;/p-1/b6-2+;;.
What are the key properties of iodo-[(E)-3-phenylprop-2-enyl]mercury?
iodo-[(E)-3-phenylprop-2-enyl]mercury has a molecular weight of 444.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-[(E)-3-phenylprop-2-enyl]mercury is sourced from PubChem (CID 14225385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).