chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury

C10H17ClHg — CID 131877018

IUPACchloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury
SMILESCC1(C)[C@H]2CC[C@@H](C[Hg]Cl)[C@@H]1C2
InChIInChI=1S/C10H17.ClH.Hg/c1-7-4-5-8-6-9(7)10(8,2)3;;/h7-9H,1,4-6H2,2-3H3;1H;/q;;+1/p-1/t7-,8+,9+;;/m1../s1
InChIKeyGYLHPGHCTDYPPS-IRDIGYRESA-M
MW373.29 g/mol
LogP3.71
Rot. Bonds2

About chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury

chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury (PubChem CID 131877018) has the molecular formula C10H17ClHg and a molecular weight of 373.29 g/mol. Its IUPAC name is chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury.

Molecular Properties

Compound Namechloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury
PubChem CID131877018
Molecular FormulaC10H17ClHg
Molecular Weight373.29 g/mol
Exact Mass374.07
IUPAC Namechloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury
SMILESCC1(C)[C@H]2CC[C@@H](C[Hg]Cl)[C@@H]1C2
InChIInChI=1S/C10H17.ClH.Hg/c1-7-4-5-8-6-9(7)10(8,2)3;;/h7-9H,1,4-6H2,2-3H3;1H;/q;;+1/p-1/t7-,8+,9+;;/m1../s1
InChIKeyGYLHPGHCTDYPPS-IRDIGYRESA-M
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane
CID 135048273
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757
[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-diethylborane
CID 11830577
1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
CID 89377744
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
2-[bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphanyl]ethyl-bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphane
CID 11115034
N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
CID 130840903
(1S,2S,5S)-6,6-dimethyl-2-(propan-2-yloxymethyl)bicyclo[3.1.1]heptane
CID 176736548
[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-[4-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]phosphanyl]butyl]phosphane
CID 22883014

Frequently Asked Questions

What is the IUPAC name of chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury?
The IUPAC name of chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury (CID 131877018) is chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury.
What is the SMILES notation for chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury?
The canonical SMILES for chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury is CC1(C)[C@H]2CC[C@@H](C[Hg]Cl)[C@@H]1C2.
What is the InChIKey of chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury?
The InChIKey is GYLHPGHCTDYPPS-IRDIGYRESA-M. The full InChI is InChI=1S/C10H17.ClH.Hg/c1-7-4-5-8-6-9(7)10(8,2)3;;/h7-9H,1,4-6H2,2-3H3;1H;/q;;+1/p-1/t7-,8+,9+;;/m1../s1.
What are the key properties of chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury?
chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury has a molecular weight of 373.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]mercury is sourced from PubChem (CID 131877018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).