chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury

C8H12ClHgNO — CID 134889965

IUPACchloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury
SMILESCO[C@H]1CC[C@H](C#N)C[C@@H]1[Hg]Cl
InChIInChI=1S/C8H12NO.ClH.Hg/c1-10-8-4-2-7(6-9)3-5-8;;/h4,7-8H,2-3,5H2,1H3;1H;/q;;+1/p-1/t7-,8-;;/m1../s1
InChIKeyDEBIMKFDCBCFOW-RHJRFJOKSA-M
MW374.23 g/mol
LogP2.35
Rot. Bonds2

About chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury

chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury (PubChem CID 134889965) has the molecular formula C8H12ClHgNO and a molecular weight of 374.23 g/mol. Its IUPAC name is chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury.

Molecular Properties

Compound Namechloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury
PubChem CID134889965
Molecular FormulaC8H12ClHgNO
Molecular Weight374.23 g/mol
Exact Mass375.03
IUPAC Namechloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury
SMILESCO[C@H]1CC[C@H](C#N)C[C@@H]1[Hg]Cl
InChIInChI=1S/C8H12NO.ClH.Hg/c1-10-8-4-2-7(6-9)3-5-8;;/h4,7-8H,2-3,5H2,1H3;1H;/q;;+1/p-1/t7-,8-;;/m1../s1
InChIKeyDEBIMKFDCBCFOW-RHJRFJOKSA-M
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]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 chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury?
The IUPAC name of chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury (CID 134889965) is chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury.
What is the SMILES notation for chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury?
The canonical SMILES for chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury is CO[C@H]1CC[C@H](C#N)C[C@@H]1[Hg]Cl.
What is the InChIKey of chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury?
The InChIKey is DEBIMKFDCBCFOW-RHJRFJOKSA-M. The full InChI is InChI=1S/C8H12NO.ClH.Hg/c1-10-8-4-2-7(6-9)3-5-8;;/h4,7-8H,2-3,5H2,1H3;1H;/q;;+1/p-1/t7-,8-;;/m1../s1.
What are the key properties of chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury?
chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury has a molecular weight of 374.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(1S,2S,5S)-5-cyano-2-methoxycyclohexyl]mercury is sourced from PubChem (CID 134889965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).