2-acetyloxypropyl(203Hg)mercury-203

C5H9HgO2 — CID 23724955

IUPAC2-acetyloxypropyl(203Hg)mercury-203
SMILESCC(=O)OC(C)C[203Hg]
InChIInChI=1S/C5H9O2.Hg/c1-4(2)7-5(3)6;/h4H,1H2,2-3H3;/i;1+2
InChIKeyCKGXKBFHJPASBM-NLQOEHMXSA-N
MW304.10 g/mol
LogP0.90
Rot. Bonds2

About 2-acetyloxypropyl(203Hg)mercury-203

2-acetyloxypropyl(203Hg)mercury-203 (PubChem CID 23724955) has the molecular formula C5H9HgO2 and a molecular weight of 304.10 g/mol. Its IUPAC name is 2-acetyloxypropyl(203Hg)mercury-203.

Molecular Properties

Compound Name2-acetyloxypropyl(203Hg)mercury-203
PubChem CID23724955
Molecular FormulaC5H9HgO2
Molecular Weight304.10 g/mol
Exact Mass304.03
IUPAC Name2-acetyloxypropyl(203Hg)mercury-203
SMILESCC(=O)OC(C)C[203Hg]
InChIInChI=1S/C5H9O2.Hg/c1-4(2)7-5(3)6;/h4H,1H2,2-3H3;/i;1+2
InChIKeyCKGXKBFHJPASBM-NLQOEHMXSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.90
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

[(2S)-1-bromopropan-2-yl] acetate
CID 13129281
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
propane;propan-2-yl acetate
CID 23325886
1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
CID 22363633
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
2-acetyloxypropyl(197Hg)mercury-197;hydrate
CID 23724952
1-(2-acetyloxypropylselanyl)propan-2-yl acetate
CID 132988773
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
azane;pentan-2-yl acetate
CID 174372937
4-hydroxypentan-2-yl acetate;methane
CID 161366769
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
4-acetyloxypentanoic acid
CID 14737198

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl(203Hg)mercury-203?
The IUPAC name of 2-acetyloxypropyl(203Hg)mercury-203 (CID 23724955) is 2-acetyloxypropyl(203Hg)mercury-203.
What is the SMILES notation for 2-acetyloxypropyl(203Hg)mercury-203?
The canonical SMILES for 2-acetyloxypropyl(203Hg)mercury-203 is CC(=O)OC(C)C[203Hg].
What is the InChIKey of 2-acetyloxypropyl(203Hg)mercury-203?
The InChIKey is CKGXKBFHJPASBM-NLQOEHMXSA-N. The full InChI is InChI=1S/C5H9O2.Hg/c1-4(2)7-5(3)6;/h4H,1H2,2-3H3;/i;1+2.
What are the key properties of 2-acetyloxypropyl(203Hg)mercury-203?
2-acetyloxypropyl(203Hg)mercury-203 has a molecular weight of 304.10 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl(203Hg)mercury-203 is sourced from PubChem (CID 23724955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).