bis[(1S,2R)-2-methoxycyclohexyl]mercury

C14H26HgO2 — CID 134889988

IUPACbis[(1S,2R)-2-methoxycyclohexyl]mercury
SMILESCO[C@@H]1CCCC[C@@H]1[Hg][C@H]1CCCC[C@H]1OC
InChIInChI=1S/2C7H13O.Hg/c2*1-8-7-5-3-2-4-6-7;/h2*5,7H,2-4,6H2,1H3;/t2*7-;/m00./s1
InChIKeyAQOUNLLTOJGONT-UBKPKTQASA-N
MW426.95 g/mol
LogP3.82
Rot. Bonds4

About bis[(1S,2R)-2-methoxycyclohexyl]mercury

bis[(1S,2R)-2-methoxycyclohexyl]mercury (PubChem CID 134889988) has the molecular formula C14H26HgO2 and a molecular weight of 426.95 g/mol. Its IUPAC name is bis[(1S,2R)-2-methoxycyclohexyl]mercury.

Molecular Properties

Compound Namebis[(1S,2R)-2-methoxycyclohexyl]mercury
PubChem CID134889988
Molecular FormulaC14H26HgO2
Molecular Weight426.95 g/mol
Exact Mass428.16
IUPAC Namebis[(1S,2R)-2-methoxycyclohexyl]mercury
SMILESCO[C@@H]1CCCC[C@@H]1[Hg][C@H]1CCCC[C@H]1OC
InChIInChI=1S/2C7H13O.Hg/c2*1-8-7-5-3-2-4-6-7;/h2*5,7H,2-4,6H2,1H3;/t2*7-;/m00./s1
InChIKeyAQOUNLLTOJGONT-UBKPKTQASA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(1S,2R)-2-methoxycyclohexyl]mercury?
The IUPAC name of bis[(1S,2R)-2-methoxycyclohexyl]mercury (CID 134889988) is bis[(1S,2R)-2-methoxycyclohexyl]mercury.
What is the SMILES notation for bis[(1S,2R)-2-methoxycyclohexyl]mercury?
The canonical SMILES for bis[(1S,2R)-2-methoxycyclohexyl]mercury is CO[C@@H]1CCCC[C@@H]1[Hg][C@H]1CCCC[C@H]1OC.
What is the InChIKey of bis[(1S,2R)-2-methoxycyclohexyl]mercury?
The InChIKey is AQOUNLLTOJGONT-UBKPKTQASA-N. The full InChI is InChI=1S/2C7H13O.Hg/c2*1-8-7-5-3-2-4-6-7;/h2*5,7H,2-4,6H2,1H3;/t2*7-;/m00./s1.
What are the key properties of bis[(1S,2R)-2-methoxycyclohexyl]mercury?
bis[(1S,2R)-2-methoxycyclohexyl]mercury has a molecular weight of 426.95 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1S,2R)-2-methoxycyclohexyl]mercury is sourced from PubChem (CID 134889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).