4-cyclohexylbutanoate;hydron;mercury(2+)

C10H18HgO2+2 — CID 21118992

IUPAC4-cyclohexylbutanoate;hydron;mercury(2+)
SMILESO=C([O-])CCCC1CCCCC1.[H+].[Hg+2]
InChIInChI=1S/C10H18O2.Hg/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+2
InChIKeyYHWQMMGCWVZZBS-UHFFFAOYSA-N
MW370.84 g/mol
LogP1.60
Rot. Bonds4

About 4-cyclohexylbutanoate;hydron;mercury(2+)

4-cyclohexylbutanoate;hydron;mercury(2+) (PubChem CID 21118992) has the molecular formula C10H18HgO2+2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-cyclohexylbutanoate;hydron;mercury(2+).

Molecular Properties

Compound Name4-cyclohexylbutanoate;hydron;mercury(2+)
PubChem CID21118992
Molecular FormulaC10H18HgO2+2
Molecular Weight370.84 g/mol
Exact Mass372.10
IUPAC Name4-cyclohexylbutanoate;hydron;mercury(2+)
SMILESO=C([O-])CCCC1CCCCC1.[H+].[Hg+2]
InChIInChI=1S/C10H18O2.Hg/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+2
InChIKeyYHWQMMGCWVZZBS-UHFFFAOYSA-N
XLogP1.60
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexylbutanoate;hydron;manganese(2+)
CID 21119793
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083
4-cyclohexylbutanoate;oxalic acid
CID 91198160
sodium 5-cyclohexylpentanoate
CID 101013497
sodium 3-cyclopentylpropanoate
CID 162201470
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
5-cyclopentylpentan-2-one
CID 18433881
4-cyclohexylbutanoyl cyanide
CID 15712809
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutanoate;hydron;mercury(2+)?
The IUPAC name of 4-cyclohexylbutanoate;hydron;mercury(2+) (CID 21118992) is 4-cyclohexylbutanoate;hydron;mercury(2+).
What is the SMILES notation for 4-cyclohexylbutanoate;hydron;mercury(2+)?
The canonical SMILES for 4-cyclohexylbutanoate;hydron;mercury(2+) is O=C([O-])CCCC1CCCCC1.[H+].[Hg+2].
What is the InChIKey of 4-cyclohexylbutanoate;hydron;mercury(2+)?
The InChIKey is YHWQMMGCWVZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.Hg/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+2.
What are the key properties of 4-cyclohexylbutanoate;hydron;mercury(2+)?
4-cyclohexylbutanoate;hydron;mercury(2+) has a molecular weight of 370.84 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutanoate;hydron;mercury(2+) is sourced from PubChem (CID 21118992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).