acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury

C14H16HgO4 — CID 16683715

IUPACacetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury
SMILESCC(=O)O[Hg]C1Cc2ccccc2CC1OC(C)=O
InChIInChI=1S/C12H13O2.C2H4O2.Hg/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12;1-2(3)4;/h2-5,7,12H,6,8H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyZZDCSIHYCCLHEI-UHFFFAOYSA-M
MW448.87 g/mol
LogP2.07
Rot. Bonds3

About acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury

acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury (PubChem CID 16683715) has the molecular formula C14H16HgO4 and a molecular weight of 448.87 g/mol. Its IUPAC name is acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury.

Molecular Properties

Compound Nameacetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury
PubChem CID16683715
Molecular FormulaC14H16HgO4
Molecular Weight448.87 g/mol
Exact Mass450.08
IUPAC Nameacetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury
SMILESCC(=O)O[Hg]C1Cc2ccccc2CC1OC(C)=O
InChIInChI=1S/C12H13O2.C2H4O2.Hg/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12;1-2(3)4;/h2-5,7,12H,6,8H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyZZDCSIHYCCLHEI-UHFFFAOYSA-M
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-3-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 170177717
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504
[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
CID 139247553
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 10756490
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1S,2S)-1-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 168894723
(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
CID 140709226
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
CID 12616569
[(2S,3R)-3-(3,5-dimethylbenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 3,5-dimethylbenzoate
CID 158024063
[(1R,9R,13S,14R)-14-acetyloxy-13-tricyclo[7.4.1.02,7]tetradeca-2,4,6-trienyl] acetate
CID 10804321

Frequently Asked Questions

What is the IUPAC name of acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury?
The IUPAC name of acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury (CID 16683715) is acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury.
What is the SMILES notation for acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury?
The canonical SMILES for acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury is CC(=O)O[Hg]C1Cc2ccccc2CC1OC(C)=O.
What is the InChIKey of acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury?
The InChIKey is ZZDCSIHYCCLHEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13O2.C2H4O2.Hg/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12;1-2(3)4;/h2-5,7,12H,6,8H2,1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury?
acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury has a molecular weight of 448.87 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury is sourced from PubChem (CID 16683715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).