mercury;2-methylheptane

C8H18Hg — CID 175108338

IUPACmercury;2-methylheptane
SMILESCCCCCC(C)C.[Hg]
InChIInChI=1S/C8H18.Hg/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;
InChIKeyFSNTVAKLZOHSPP-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.22
Rot. Bonds4

About mercury;2-methylheptane

mercury;2-methylheptane (PubChem CID 175108338) has the molecular formula C8H18Hg and a molecular weight of 314.82 g/mol. Its IUPAC name is mercury;2-methylheptane.

Molecular Properties

Compound Namemercury;2-methylheptane
PubChem CID175108338
Molecular FormulaC8H18Hg
Molecular Weight314.82 g/mol
Exact Mass316.11
IUPAC Namemercury;2-methylheptane
SMILESCCCCCC(C)C.[Hg]
InChIInChI=1S/C8H18.Hg/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;
InChIKeyFSNTVAKLZOHSPP-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
lithium;hydride;2-methylheptane
CID 173040195
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652

Frequently Asked Questions

What is the IUPAC name of mercury;2-methylheptane?
The IUPAC name of mercury;2-methylheptane (CID 175108338) is mercury;2-methylheptane.
What is the SMILES notation for mercury;2-methylheptane?
The canonical SMILES for mercury;2-methylheptane is CCCCCC(C)C.[Hg].
What is the InChIKey of mercury;2-methylheptane?
The InChIKey is FSNTVAKLZOHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.Hg/c1-4-5-6-7-8(2)3;/h8H,4-7H2,1-3H3;.
What are the key properties of mercury;2-methylheptane?
mercury;2-methylheptane has a molecular weight of 314.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;2-methylheptane is sourced from PubChem (CID 175108338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).