chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury

C7H9ClHg — CID 15826882

IUPACchloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
SMILESCC1CC=CC=C1[Hg]Cl
InChIInChI=1S/C7H9.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-4,7H,5H2,1H3;1H;/q;;+1/p-1
InChIKeyOEDFCYHBOGRBFT-UHFFFAOYSA-M
MW329.19 g/mol
LogP2.70
Rot. Bonds1

About chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury

chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury (PubChem CID 15826882) has the molecular formula C7H9ClHg and a molecular weight of 329.19 g/mol. Its IUPAC name is chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury.

Molecular Properties

Compound Namechloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
PubChem CID15826882
Molecular FormulaC7H9ClHg
Molecular Weight329.19 g/mol
Exact Mass330.01
IUPAC Namechloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
SMILESCC1CC=CC=C1[Hg]Cl
InChIInChI=1S/C7H9.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-4,7H,5H2,1H3;1H;/q;;+1/p-1
InChIKeyOEDFCYHBOGRBFT-UHFFFAOYSA-M
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(6-methylcyclohexa-1,3-dien-1-yl)mercury?
The IUPAC name of chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury (CID 15826882) is chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury.
What is the SMILES notation for chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury?
The canonical SMILES for chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury is CC1CC=CC=C1[Hg]Cl.
What is the InChIKey of chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury?
The InChIKey is OEDFCYHBOGRBFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-4,7H,5H2,1H3;1H;/q;;+1/p-1.
What are the key properties of chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury?
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury has a molecular weight of 329.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury is sourced from PubChem (CID 15826882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).