7,7-dimethyloctanoic acid;mercury

C10H20HgO2 — CID 159526990

IUPAC7,7-dimethyloctanoic acid;mercury
SMILESCC(C)(C)CCCCCC(=O)O.[Hg]
InChIInChI=1S/C10H20O2.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyMCMYSMKVNKEIDR-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.07
Rot. Bonds5

About 7,7-dimethyloctanoic acid;mercury

7,7-dimethyloctanoic acid;mercury (PubChem CID 159526990) has the molecular formula C10H20HgO2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 7,7-dimethyloctanoic acid;mercury.

Molecular Properties

Compound Name7,7-dimethyloctanoic acid;mercury
PubChem CID159526990
Molecular FormulaC10H20HgO2
Molecular Weight372.86 g/mol
Exact Mass374.12
IUPAC Name7,7-dimethyloctanoic acid;mercury
SMILESCC(C)(C)CCCCCC(=O)O.[Hg]
InChIInChI=1S/C10H20O2.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);
InChIKeyMCMYSMKVNKEIDR-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.07
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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CID 56844010
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
calcium;7,7-dimethyloctanoic acid;dinitrate;tetrahydrate
CID 172688261
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyloctanoic acid;mercury?
The IUPAC name of 7,7-dimethyloctanoic acid;mercury (CID 159526990) is 7,7-dimethyloctanoic acid;mercury.
What is the SMILES notation for 7,7-dimethyloctanoic acid;mercury?
The canonical SMILES for 7,7-dimethyloctanoic acid;mercury is CC(C)(C)CCCCCC(=O)O.[Hg].
What is the InChIKey of 7,7-dimethyloctanoic acid;mercury?
The InChIKey is MCMYSMKVNKEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);.
What are the key properties of 7,7-dimethyloctanoic acid;mercury?
7,7-dimethyloctanoic acid;mercury has a molecular weight of 372.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctanoic acid;mercury is sourced from PubChem (CID 159526990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).