di(cyclohexen-1-yloxy)mercury

C12H18HgO2 — CID 134892080

IUPACdi(cyclohexen-1-yloxy)mercury
SMILESC1=C(O[Hg]OC2=CCCCC2)CCCC1
InChIInChI=1S/2C6H10O.Hg/c2*7-6-4-2-1-3-5-6;/h2*4,7H,1-3,5H2;/q;;+2/p-2
InChIKeyBVXPCIYHOKZWHM-UHFFFAOYSA-L
MW394.86 g/mol
LogP3.85
Rot. Bonds4

About di(cyclohexen-1-yloxy)mercury

di(cyclohexen-1-yloxy)mercury (PubChem CID 134892080) has the molecular formula C12H18HgO2 and a molecular weight of 394.86 g/mol. Its IUPAC name is di(cyclohexen-1-yloxy)mercury.

Molecular Properties

Compound Namedi(cyclohexen-1-yloxy)mercury
PubChem CID134892080
Molecular FormulaC12H18HgO2
Molecular Weight394.86 g/mol
Exact Mass396.10
IUPAC Namedi(cyclohexen-1-yloxy)mercury
SMILESC1=C(O[Hg]OC2=CCCCC2)CCCC1
InChIInChI=1S/2C6H10O.Hg/c2*7-6-4-2-1-3-5-6;/h2*4,7H,1-3,5H2;/q;;+2/p-2
InChIKeyBVXPCIYHOKZWHM-UHFFFAOYSA-L
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze di(cyclohexen-1-yloxy)mercury with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of di(cyclohexen-1-yloxy)mercury?
The IUPAC name of di(cyclohexen-1-yloxy)mercury (CID 134892080) is di(cyclohexen-1-yloxy)mercury.
What is the SMILES notation for di(cyclohexen-1-yloxy)mercury?
The canonical SMILES for di(cyclohexen-1-yloxy)mercury is C1=C(O[Hg]OC2=CCCCC2)CCCC1.
What is the InChIKey of di(cyclohexen-1-yloxy)mercury?
The InChIKey is BVXPCIYHOKZWHM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10O.Hg/c2*7-6-4-2-1-3-5-6;/h2*4,7H,1-3,5H2;/q;;+2/p-2.
What are the key properties of di(cyclohexen-1-yloxy)mercury?
di(cyclohexen-1-yloxy)mercury has a molecular weight of 394.86 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexen-1-yloxy)mercury is sourced from PubChem (CID 134892080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).