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

C12H17ClHgO2 — CID 10477713

IUPACchloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
SMILESCCCC/C([Hg]Cl)=C1/C(=O)C=CC1(C)OC
InChIInChI=1S/C12H17O2.ClH.Hg/c1-4-5-6-7-10-11(13)8-9-12(10,2)14-3;;/h8-9H,4-6H2,1-3H3;1H;/q;;+1/p-1
InChIKeyXMPHYDWVSOIVRL-UHFFFAOYSA-M
MW429.31 g/mol
LogP3.21
Rot. Bonds5

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

chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury (PubChem CID 10477713) has the molecular formula C12H17ClHgO2 and a molecular weight of 429.31 g/mol. Its IUPAC name is chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury.

Molecular Properties

Compound Namechloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
PubChem CID10477713
Molecular FormulaC12H17ClHgO2
Molecular Weight429.31 g/mol
Exact Mass430.06
IUPAC Namechloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
SMILESCCCC/C([Hg]Cl)=C1/C(=O)C=CC1(C)OC
InChIInChI=1S/C12H17O2.ClH.Hg/c1-4-5-6-7-10-11(13)8-9-12(10,2)14-3;;/h8-9H,4-6H2,1-3H3;1H;/q;;+1/p-1
InChIKeyXMPHYDWVSOIVRL-UHFFFAOYSA-M
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.21
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-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469
(5Z)-5-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 11820303
4-Methyl-4-pentoxycyclopent-2-en-1-one
CID 70523363
(E)-5-methoxy-3,5-dimethyloct-3-en-2-one
CID 87291630
5-Methoxy-3,5-dimethyloct-3-en-2-one
CID 91562873
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

Frequently Asked Questions

What is the IUPAC name of chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury?
The IUPAC name of chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury (CID 10477713) is chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury.
What is the SMILES notation for chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury?
The canonical SMILES for chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury is CCCC/C([Hg]Cl)=C1/C(=O)C=CC1(C)OC.
What is the InChIKey of chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury?
The InChIKey is XMPHYDWVSOIVRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17O2.ClH.Hg/c1-4-5-6-7-10-11(13)8-9-12(10,2)14-3;;/h8-9H,4-6H2,1-3H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury?
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury has a molecular weight of 429.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury is sourced from PubChem (CID 10477713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).