acetic acid;pentylmercury

C7H15HgO2 — CID 88743685

IUPACacetic acid;pentylmercury
SMILESCC(=O)O.CCCCC[Hg]
InChIInChI=1S/C5H11.C2H4O2.Hg/c1-3-5-4-2;1-2(3)4;/h1,3-5H2,2H3;1H3,(H,3,4);
InChIKeyZSLPNIGRHXFTEM-UHFFFAOYSA-N
MW331.79 g/mol
LogP2.23
Rot. Bonds3

About acetic acid;pentylmercury

acetic acid;pentylmercury (PubChem CID 88743685) has the molecular formula C7H15HgO2 and a molecular weight of 331.79 g/mol. Its IUPAC name is acetic acid;pentylmercury.

Molecular Properties

Compound Nameacetic acid;pentylmercury
PubChem CID88743685
Molecular FormulaC7H15HgO2
Molecular Weight331.79 g/mol
Exact Mass333.08
IUPAC Nameacetic acid;pentylmercury
SMILESCC(=O)O.CCCCC[Hg]
InChIInChI=1S/C5H11.C2H4O2.Hg/c1-3-5-4-2;1-2(3)4;/h1,3-5H2,2H3;1H3,(H,3,4);
InChIKeyZSLPNIGRHXFTEM-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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dodecylmercury;hydrate
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Frequently Asked Questions

What is the IUPAC name of acetic acid;pentylmercury?
The IUPAC name of acetic acid;pentylmercury (CID 88743685) is acetic acid;pentylmercury.
What is the SMILES notation for acetic acid;pentylmercury?
The canonical SMILES for acetic acid;pentylmercury is CC(=O)O.CCCCC[Hg].
What is the InChIKey of acetic acid;pentylmercury?
The InChIKey is ZSLPNIGRHXFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C2H4O2.Hg/c1-3-5-4-2;1-2(3)4;/h1,3-5H2,2H3;1H3,(H,3,4);.
What are the key properties of acetic acid;pentylmercury?
acetic acid;pentylmercury has a molecular weight of 331.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pentylmercury is sourced from PubChem (CID 88743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).