2-acetyloxyhexyl(chloro)mercury

C8H15ClHgO2 — CID 71329311

IUPAC2-acetyloxyhexyl(chloro)mercury
SMILESCCCCC(C[Hg]Cl)OC(C)=O
InChIInChI=1S/C8H15O2.ClH.Hg/c1-4-5-6-7(2)10-8(3)9;;/h7H,2,4-6H2,1,3H3;1H;/q;;+1/p-1
InChIKeyQXQWYBUDGHQDFM-UHFFFAOYSA-M
MW379.25 g/mol
LogP2.76
Rot. Bonds6

About 2-acetyloxyhexyl(chloro)mercury

2-acetyloxyhexyl(chloro)mercury (PubChem CID 71329311) has the molecular formula C8H15ClHgO2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-acetyloxyhexyl(chloro)mercury.

Molecular Properties

Compound Name2-acetyloxyhexyl(chloro)mercury
PubChem CID71329311
Molecular FormulaC8H15ClHgO2
Molecular Weight379.25 g/mol
Exact Mass380.05
IUPAC Name2-acetyloxyhexyl(chloro)mercury
SMILESCCCCC(C[Hg]Cl)OC(C)=O
InChIInChI=1S/C8H15O2.ClH.Hg/c1-4-5-6-7(2)10-8(3)9;;/h7H,2,4-6H2,1,3H3;1H;/q;;+1/p-1
InChIKeyQXQWYBUDGHQDFM-UHFFFAOYSA-M
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.76
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

[(5R)-1-chlorononan-5-yl] acetate
CID 129368430
1-iodohexan-2-yl acetate
CID 11184782
[(3S)-nonan-3-yl] acetate
CID 76967958
tetradec-10-en-5-yl acetate
CID 54019946
(313C)heptan-4-yl acetate
CID 117065532
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
16-hydroxyhexadecan-8-yl acetate
CID 175427631
1,1,1-trichlorotridecan-3-yl acetate
CID 101179539
4-acetyloxynonanoic acid
CID 168891082
(3R)-3-acetyloxynonanoic acid
CID 54016264
disodium;1-(2-acetyloxydodecoxy)dodecan-2-yl acetate;hydride
CID 173093071
hexan-2-yl acetate;methane
CID 159910641

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyhexyl(chloro)mercury?
The IUPAC name of 2-acetyloxyhexyl(chloro)mercury (CID 71329311) is 2-acetyloxyhexyl(chloro)mercury.
What is the SMILES notation for 2-acetyloxyhexyl(chloro)mercury?
The canonical SMILES for 2-acetyloxyhexyl(chloro)mercury is CCCCC(C[Hg]Cl)OC(C)=O.
What is the InChIKey of 2-acetyloxyhexyl(chloro)mercury?
The InChIKey is QXQWYBUDGHQDFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15O2.ClH.Hg/c1-4-5-6-7(2)10-8(3)9;;/h7H,2,4-6H2,1,3H3;1H;/q;;+1/p-1.
What are the key properties of 2-acetyloxyhexyl(chloro)mercury?
2-acetyloxyhexyl(chloro)mercury has a molecular weight of 379.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyhexyl(chloro)mercury is sourced from PubChem (CID 71329311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).