dodecylmercury;hydrate

C12H27HgO — CID 78070234

IUPACdodecylmercury;hydrate
SMILESCCCCCCCCCCCC[Hg].O
InChIInChI=1S/C12H25.Hg.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;1H2
InChIKeyWZAHCXUNFLFONW-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.05
Rot. Bonds10

About dodecylmercury;hydrate

dodecylmercury;hydrate (PubChem CID 78070234) has the molecular formula C12H27HgO and a molecular weight of 387.94 g/mol. Its IUPAC name is dodecylmercury;hydrate.

Molecular Properties

Compound Namedodecylmercury;hydrate
PubChem CID78070234
Molecular FormulaC12H27HgO
Molecular Weight387.94 g/mol
Exact Mass389.18
IUPAC Namedodecylmercury;hydrate
SMILESCCCCCCCCCCCC[Hg].O
InChIInChI=1S/C12H25.Hg.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;1H2
InChIKeyWZAHCXUNFLFONW-UHFFFAOYSA-N
XLogP4.05
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.05
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

decane;ruthenium
CID 160818595
heptane;hydrate
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1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
ethene;1-octoxyoctane;hydrate
CID 174394810

Frequently Asked Questions

What is the IUPAC name of dodecylmercury;hydrate?
The IUPAC name of dodecylmercury;hydrate (CID 78070234) is dodecylmercury;hydrate.
What is the SMILES notation for dodecylmercury;hydrate?
The canonical SMILES for dodecylmercury;hydrate is CCCCCCCCCCCC[Hg].O.
What is the InChIKey of dodecylmercury;hydrate?
The InChIKey is WZAHCXUNFLFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Hg.H2O/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;;1H2.
What are the key properties of dodecylmercury;hydrate?
dodecylmercury;hydrate has a molecular weight of 387.94 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylmercury;hydrate is sourced from PubChem (CID 78070234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).