chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury

C6H9ClHgO — CID 134900574

IUPACchloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury
SMILESCC(=O)/C=C(\C)C[Hg]Cl
InChIInChI=1S/C6H9O.ClH.Hg/c1-5(2)4-6(3)7;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1/b5-4-;;
InChIKeyZDWIPGXADQPFIX-WNCVTPEDSA-M
MW333.18 g/mol
LogP2.18
Rot. Bonds3

About chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury

chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury (PubChem CID 134900574) has the molecular formula C6H9ClHgO and a molecular weight of 333.18 g/mol. Its IUPAC name is chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury.

Molecular Properties

Compound Namechloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury
PubChem CID134900574
Molecular FormulaC6H9ClHgO
Molecular Weight333.18 g/mol
Exact Mass334.00
IUPAC Namechloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury
SMILESCC(=O)/C=C(\C)C[Hg]Cl
InChIInChI=1S/C6H9O.ClH.Hg/c1-5(2)4-6(3)7;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1/b5-4-;;
InChIKeyZDWIPGXADQPFIX-WNCVTPEDSA-M
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-4-methylhex-3-en-2-one
CID 12930146
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167
(E)-4,6-dimethylhept-3-en-2-one
CID 12956006
(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one
CID 140811379
butan-2-one;4-methylpent-3-en-2-one
CID 87594966
(E)-2-amino-4-oxopent-2-enoic acid
CID 45085327
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury?
The IUPAC name of chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury (CID 134900574) is chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury.
What is the SMILES notation for chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury?
The canonical SMILES for chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury is CC(=O)/C=C(\C)C[Hg]Cl.
What is the InChIKey of chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury?
The InChIKey is ZDWIPGXADQPFIX-WNCVTPEDSA-M. The full InChI is InChI=1S/C6H9O.ClH.Hg/c1-5(2)4-6(3)7;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1/b5-4-;;.
What are the key properties of chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury?
chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury has a molecular weight of 333.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury is sourced from PubChem (CID 134900574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).