chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

C8H9ClHgO2 — CID 10474469

IUPACchloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCOC1(C)C=CC(=O)/C1=C\[Hg]Cl
InChIInChI=1S/C8H9O2.ClH.Hg/c1-6-7(9)4-5-8(6,2)10-3;;/h1,4-5H,2-3H3;1H;/q;;+1/p-1
InChIKeyQOZOKBFNCXOHMP-UHFFFAOYSA-M
MW373.20 g/mol
LogP1.65
Rot. Bonds2

About chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (PubChem CID 10474469) has the molecular formula C8H9ClHgO2 and a molecular weight of 373.20 g/mol. Its IUPAC name is chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.

Molecular Properties

Compound Namechloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
PubChem CID10474469
Molecular FormulaC8H9ClHgO2
Molecular Weight373.20 g/mol
Exact Mass374.00
IUPAC Namechloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCOC1(C)C=CC(=O)/C1=C\[Hg]Cl
InChIInChI=1S/C8H9O2.ClH.Hg/c1-6-7(9)4-5-8(6,2)10-3;;/h1,4-5H,2-3H3;1H;/q;;+1/p-1
InChIKeyQOZOKBFNCXOHMP-UHFFFAOYSA-M
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(1-bromopentylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 9993429
(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10104759
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 10477713
4-Methyl-4-pentoxycyclopent-2-en-1-one
CID 70523363
Chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one
CID 10017252
4-Methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
CID 10017253
(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 10243132
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10253904
(5Z)-4-methoxy-4-methyl-5-(2-methyloct-1-en-4-ylidene)cyclopent-2-en-1-one
CID 10354665
Chloropalladium(1+);5-methanidylidene-4-methoxy-2,4-dimethylcyclopent-2-en-1-one
CID 15966028
(1-Methyl-4-oxocyclopent-2-en-1-yl) acetate
CID 21633392
4-Ethenyl-4-methoxycyclopent-2-en-1-one
CID 71405933

Frequently Asked Questions

What is the IUPAC name of chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The IUPAC name of chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (CID 10474469) is chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.
What is the SMILES notation for chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The canonical SMILES for chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is COC1(C)C=CC(=O)/C1=C\[Hg]Cl.
What is the InChIKey of chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The InChIKey is QOZOKBFNCXOHMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O2.ClH.Hg/c1-6-7(9)4-5-8(6,2)10-3;;/h1,4-5H,2-3H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury has a molecular weight of 373.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is sourced from PubChem (CID 10474469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).