[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

C17H27HgO2 — CID 10031071

IUPAC[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCCCCCCCCC1=C(C)C(=O)/C(=C\[Hg])C1(C)OC
InChIInChI=1S/C17H27O2.Hg/c1-6-7-8-9-10-11-12-15-13(2)16(18)14(3)17(15,4)19-5;/h3H,6-12H2,1-2,4-5H3;
InChIKeyHHTKFHIEUSMVKL-UHFFFAOYSA-N
MW463.99 g/mol
LogP4.47
Rot. Bonds8

About [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury

[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (PubChem CID 10031071) has the molecular formula C17H27HgO2 and a molecular weight of 463.99 g/mol. Its IUPAC name is [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.

Molecular Properties

Compound Name[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
PubChem CID10031071
Molecular FormulaC17H27HgO2
Molecular Weight463.99 g/mol
Exact Mass465.17
IUPAC Name[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
SMILESCCCCCCCCC1=C(C)C(=O)/C(=C\[Hg])C1(C)OC
InChIInChI=1S/C17H27O2.Hg/c1-6-7-8-9-10-11-12-15-13(2)16(18)14(3)17(15,4)19-5;/h3H,6-12H2,1-2,4-5H3;
InChIKeyHHTKFHIEUSMVKL-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury with MolForge

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Related Compounds

14-Methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
CID 11277022
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
4-Hept-1-ynyl-4-methoxy-2-pentylcyclopent-2-en-1-one
CID 139248714
[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury;2,2,2-trifluoroacetic acid
CID 10031070
[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]-(2,2,2-trifluoroacetyl)oxymercury
CID 16686223
[(Z)-(3-butyl-2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]-(2,2,2-trifluoroacetyl)oxymercury
CID 16686385
(4R)-4-hexadecyl-4-(methoxymethoxy)cyclopent-2-en-1-one
CID 11057650
(2R,3R)-2-hexyl-4-methyl-5-propyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 71507301
4-Methoxy-2,5-dipropylcyclopent-2-en-1-one
CID 85677436
(2R,3R)-4,5-diethyl-2-hexyl-1-oxaspiro[2.4]hept-4-en-6-one
CID 102190723
(Z)-2-(butoxymethyl)-3-methyl-1-(3-methylcyclopentyl)pent-2-ene-1,4-dione
CID 146245283
2-(Methoxymethyl)-3-(15-methoxypentadecyl)-4,4-dimethylcyclohex-2-en-1-one
CID 162724334

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The IUPAC name of [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury (CID 10031071) is [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury.
What is the SMILES notation for [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The canonical SMILES for [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is CCCCCCCCC1=C(C)C(=O)/C(=C\[Hg])C1(C)OC.
What is the InChIKey of [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
The InChIKey is HHTKFHIEUSMVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O2.Hg/c1-6-7-8-9-10-11-12-15-13(2)16(18)14(3)17(15,4)19-5;/h3H,6-12H2,1-2,4-5H3;.
What are the key properties of [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury?
[(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury has a molecular weight of 463.99 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-methoxy-2,4-dimethyl-3-octyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury is sourced from PubChem (CID 10031071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).