methyl(pent-1-ynyl)mercury

C6H10Hg — CID 71319721

IUPACmethyl(pent-1-ynyl)mercury
SMILESCCCC#C[Hg]C
InChIInChI=1S/C5H7.CH3.Hg/c1-3-5-4-2;;/h3,5H2,1H3;1H3;
InChIKeyIWXKHRFQFJNCDP-UHFFFAOYSA-N
MW282.74 g/mol
LogP1.88
Rot. Bonds1

About methyl(pent-1-ynyl)mercury

methyl(pent-1-ynyl)mercury (PubChem CID 71319721) has the molecular formula C6H10Hg and a molecular weight of 282.74 g/mol. Its IUPAC name is methyl(pent-1-ynyl)mercury.

Molecular Properties

Compound Namemethyl(pent-1-ynyl)mercury
PubChem CID71319721
Molecular FormulaC6H10Hg
Molecular Weight282.74 g/mol
Exact Mass284.05
IUPAC Namemethyl(pent-1-ynyl)mercury
SMILESCCCC#C[Hg]C
InChIInChI=1S/C5H7.CH3.Hg/c1-3-5-4-2;;/h3,5H2,1H3;1H3;
InChIKeyIWXKHRFQFJNCDP-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl(pent-1-ynyl)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodeca-4,7-diyne
CID 173074460
bis(pent-1-ynyl)phosphane
CID 21096758
lithium hex-2-yne
CID 71319787
1-chlorohept-3-yne
CID 11434969
tetradeca-4,9-diyne
CID 173328648
heptadeca-4,7,10-triyne
CID 171715223
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
methyl(pent-1-ynyl)silane
CID 172687235
undeca-4,7-diyn-6-ol
CID 15932781
hex-2-ynyl(trimethyl)azanium
CID 71317889
benzene;carbon monoxide;chromium;oct-4-yne
CID 134898914

Frequently Asked Questions

What is the IUPAC name of methyl(pent-1-ynyl)mercury?
The IUPAC name of methyl(pent-1-ynyl)mercury (CID 71319721) is methyl(pent-1-ynyl)mercury.
What is the SMILES notation for methyl(pent-1-ynyl)mercury?
The canonical SMILES for methyl(pent-1-ynyl)mercury is CCCC#C[Hg]C.
What is the InChIKey of methyl(pent-1-ynyl)mercury?
The InChIKey is IWXKHRFQFJNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.CH3.Hg/c1-3-5-4-2;;/h3,5H2,1H3;1H3;.
What are the key properties of methyl(pent-1-ynyl)mercury?
methyl(pent-1-ynyl)mercury has a molecular weight of 282.74 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pent-1-ynyl)mercury is sourced from PubChem (CID 71319721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).