2-hydroxypropyl acetate;mercury

C5H10HgO3 — CID 174858394

IUPAC2-hydroxypropyl acetate;mercury
SMILESCC(=O)OCC(C)O.[Hg]
InChIInChI=1S/C5H10O3.Hg/c1-4(6)3-8-5(2)7;/h4,6H,3H2,1-2H3;
InChIKeyWIWFEKQFNAUVQU-UHFFFAOYSA-N
MW318.72 g/mol
LogP-0.07
Rot. Bonds2

About 2-hydroxypropyl acetate;mercury

2-hydroxypropyl acetate;mercury (PubChem CID 174858394) has the molecular formula C5H10HgO3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 2-hydroxypropyl acetate;mercury.

Molecular Properties

Compound Name2-hydroxypropyl acetate;mercury
PubChem CID174858394
Molecular FormulaC5H10HgO3
Molecular Weight318.72 g/mol
Exact Mass320.03
IUPAC Name2-hydroxypropyl acetate;mercury
SMILESCC(=O)OCC(C)O.[Hg]
InChIInChI=1S/C5H10O3.Hg/c1-4(6)3-8-5(2)7;/h4,6H,3H2,1-2H3;
InChIKeyWIWFEKQFNAUVQU-UHFFFAOYSA-N
XLogP-0.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
ethanol;2-hydroxypropyl acetate
CID 88717262
2-hydroxypropyl acetate;methoxyperoxymethane
CID 87580480
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
CID 87518170
2-methylpropyl acetate;hydrate
CID 86585368
bis(butan-2-ol);ethyl acetate
CID 139558654
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
2-chloropropyl acetate
CID 527885
ethyl acetate;bis(propan-2-ol)
CID 87186921
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl acetate;mercury?
The IUPAC name of 2-hydroxypropyl acetate;mercury (CID 174858394) is 2-hydroxypropyl acetate;mercury.
What is the SMILES notation for 2-hydroxypropyl acetate;mercury?
The canonical SMILES for 2-hydroxypropyl acetate;mercury is CC(=O)OCC(C)O.[Hg].
What is the InChIKey of 2-hydroxypropyl acetate;mercury?
The InChIKey is WIWFEKQFNAUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.Hg/c1-4(6)3-8-5(2)7;/h4,6H,3H2,1-2H3;.
What are the key properties of 2-hydroxypropyl acetate;mercury?
2-hydroxypropyl acetate;mercury has a molecular weight of 318.72 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl acetate;mercury is sourced from PubChem (CID 174858394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).