1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane

C12H24Cl2Si2 — CID 101125348

IUPAC1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane
SMILESCl[Si]12CCCC[Si](Cl)(CCCC1)CCCC2
InChIInChI=1S/C12H24Cl2Si2/c13-15-7-1-2-8-16(14,11-5-3-9-15)12-6-4-10-15/h1-12H2
InChIKeyGPSFRLBDUXWCBB-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.72
Rot. Bonds

About 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane

1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane (PubChem CID 101125348) has the molecular formula C12H24Cl2Si2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane.

Molecular Properties

Compound Name1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane
PubChem CID101125348
Molecular FormulaC12H24Cl2Si2
Molecular Weight295.40 g/mol
Exact Mass294.08
IUPAC Name1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane
SMILESCl[Si]12CCCC[Si](Cl)(CCCC1)CCCC2
InChIInChI=1S/C12H24Cl2Si2/c13-15-7-1-2-8-16(14,11-5-3-9-15)12-6-4-10-15/h1-12H2
InChIKeyGPSFRLBDUXWCBB-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane?
The IUPAC name of 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane (CID 101125348) is 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane.
What is the SMILES notation for 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane?
The canonical SMILES for 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane is Cl[Si]12CCCC[Si](Cl)(CCCC1)CCCC2.
What is the InChIKey of 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane?
The InChIKey is GPSFRLBDUXWCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2Si2/c13-15-7-1-2-8-16(14,11-5-3-9-15)12-6-4-10-15/h1-12H2.
What are the key properties of 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane?
1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane has a molecular weight of 295.40 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-1,6-disilabicyclo[4.4.4]tetradecane is sourced from PubChem (CID 101125348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).