CID 101368247

C24H33BrHgO2Si — CID 101368247

IUPAC—
SMILESCC(C)(C)[Si](OCCC[CH][C@@H]1CCCO1)(c1ccccc1)c1ccccc1.[Br-].[Hg+]
InChIInChI=1S/C24H33O2Si.BrH.Hg/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-11-10-13-21-14-12-19-25-21;;/h4-9,13,15-18,21H,10-12,14,19-20H2,1-3H3;1H;/q;;+1/p-1/t21-;;/m1../s1
InChIKeyVEHICYBXHKJPAD-GHVWMZMZSA-M
MW662.11 g/mol
LogP1.73
Rot. Bonds8

About CID 101368247

CID 101368247 (PubChem CID 101368247) has the molecular formula C24H33BrHgO2Si and a molecular weight of 662.11 g/mol.

Molecular Properties

Compound NameCID 101368247
PubChem CID101368247
Molecular FormulaC24H33BrHgO2Si
Molecular Weight662.11 g/mol
Exact Mass662.11
IUPAC Name—
SMILESCC(C)(C)[Si](OCCC[CH][C@@H]1CCCO1)(c1ccccc1)c1ccccc1.[Br-].[Hg+]
InChIInChI=1S/C24H33O2Si.BrH.Hg/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-11-10-13-21-14-12-19-25-21;;/h4-9,13,15-18,21H,10-12,14,19-20H2,1-3H3;1H;/q;;+1/p-1/t21-;;/m1../s1
InChIKeyVEHICYBXHKJPAD-GHVWMZMZSA-M
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.11
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101368247?
The IUPAC name of CID 101368247 (CID 101368247) is not available.
What is the SMILES notation for CID 101368247?
The canonical SMILES for CID 101368247 is CC(C)(C)[Si](OCCC[CH][C@@H]1CCCO1)(c1ccccc1)c1ccccc1.[Br-].[Hg+].
What is the InChIKey of CID 101368247?
The InChIKey is VEHICYBXHKJPAD-GHVWMZMZSA-M. The full InChI is InChI=1S/C24H33O2Si.BrH.Hg/c1-24(2,3)27(22-15-6-4-7-16-22,23-17-8-5-9-18-23)26-20-11-10-13-21-14-12-19-25-21;;/h4-9,13,15-18,21H,10-12,14,19-20H2,1-3H3;1H;/q;;+1/p-1/t21-;;/m1../s1.
What are the key properties of CID 101368247?
CID 101368247 has a molecular weight of 662.11 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101368247 is sourced from PubChem (CID 101368247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).