acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury

C14H22HgO6Si — CID 23265876

IUPACacetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury
SMILESCO[Si](CCCOc1ccc([Hg]OC(C)=O)cc1)(OC)OC
InChIInChI=1S/C12H19O4Si.C2H4O2.Hg/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12;1-2(3)4;/h5-6,8-9H,7,10-11H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyQKIWNQWAODQZKT-UHFFFAOYSA-M
MW515.00 g/mol
LogP1.52
Rot. Bonds10

About acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury

acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury (PubChem CID 23265876) has the molecular formula C14H22HgO6Si and a molecular weight of 515.00 g/mol. Its IUPAC name is acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury
PubChem CID23265876
Molecular FormulaC14H22HgO6Si
Molecular Weight515.00 g/mol
Exact Mass516.09
IUPAC Nameacetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury
SMILESCO[Si](CCCOc1ccc([Hg]OC(C)=O)cc1)(OC)OC
InChIInChI=1S/C12H19O4Si.C2H4O2.Hg/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12;1-2(3)4;/h5-6,8-9H,7,10-11H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyQKIWNQWAODQZKT-UHFFFAOYSA-M
XLogP1.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.00
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury?
The IUPAC name of acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury (CID 23265876) is acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury.
What is the SMILES notation for acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury?
The canonical SMILES for acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury is CO[Si](CCCOc1ccc([Hg]OC(C)=O)cc1)(OC)OC.
What is the InChIKey of acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury?
The InChIKey is QKIWNQWAODQZKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19O4Si.C2H4O2.Hg/c1-13-17(14-2,15-3)11-7-10-16-12-8-5-4-6-9-12;1-2(3)4;/h5-6,8-9H,7,10-11H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury?
acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury has a molecular weight of 515.00 g/mol, XLogP of 1.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[4-(3-trimethoxysilylpropoxy)phenyl]mercury is sourced from PubChem (CID 23265876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).