chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury

C8H13ClHgO — CID 3039054

IUPACchloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury
SMILESCOC1C2CCC(C2)C1[Hg]Cl
InChIInChI=1S/C8H13O.ClH.Hg/c1-9-8-5-6-2-3-7(8)4-6;;/h5-8H,2-4H2,1H3;1H;/q;;+1/p-1
InChIKeyPRGQCMPQXJUYLJ-UHFFFAOYSA-M
MW361.23 g/mol
LogP2.46
Rot. Bonds2

About chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury

chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury (PubChem CID 3039054) has the molecular formula C8H13ClHgO and a molecular weight of 361.23 g/mol. Its IUPAC name is chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury.

Molecular Properties

Compound Namechloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury
PubChem CID3039054
Molecular FormulaC8H13ClHgO
Molecular Weight361.23 g/mol
Exact Mass362.04
IUPAC Namechloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury
SMILESCOC1C2CCC(C2)C1[Hg]Cl
InChIInChI=1S/C8H13O.ClH.Hg/c1-9-8-5-6-2-3-7(8)4-6;;/h5-8H,2-4H2,1H3;1H;/q;;+1/p-1
InChIKeyPRGQCMPQXJUYLJ-UHFFFAOYSA-M
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury?
The IUPAC name of chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury (CID 3039054) is chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury.
What is the SMILES notation for chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury?
The canonical SMILES for chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury is COC1C2CCC(C2)C1[Hg]Cl.
What is the InChIKey of chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury?
The InChIKey is PRGQCMPQXJUYLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13O.ClH.Hg/c1-9-8-5-6-2-3-7(8)4-6;;/h5-8H,2-4H2,1H3;1H;/q;;+1/p-1.
What are the key properties of chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury?
chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury has a molecular weight of 361.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-methoxy-2-bicyclo[2.2.1]heptanyl)mercury is sourced from PubChem (CID 3039054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).