2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane

C11H32Cl2O5Si6 — CID 15466488

IUPAC2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[Si]1(C)C[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(Cl)O1
InChIInChI=1S/C11H32Cl2O5Si6/c1-19(2)11-20(3,4)15-24(10,13)18-22(7,8)16-21(5,6)17-23(9,12)14-19/h11H2,1-10H3
InChIKeyOAESBBZIFZTMMM-UHFFFAOYSA-N
MW483.79 g/mol
LogP5.05
Rot. Bonds

About 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane

2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane (PubChem CID 15466488) has the molecular formula C11H32Cl2O5Si6 and a molecular weight of 483.79 g/mol. Its IUPAC name is 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane.

Molecular Properties

Compound Name2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane
PubChem CID15466488
Molecular FormulaC11H32Cl2O5Si6
Molecular Weight483.79 g/mol
Exact Mass482.02
IUPAC Name2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane
SMILESC[Si]1(C)C[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(Cl)O1
InChIInChI=1S/C11H32Cl2O5Si6/c1-19(2)11-20(3,4)15-24(10,13)18-22(7,8)16-21(5,6)17-23(9,12)14-19/h11H2,1-10H3
InChIKeyOAESBBZIFZTMMM-UHFFFAOYSA-N
XLogP5.05
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.79
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The IUPAC name of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane (CID 15466488) is 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane.
What is the SMILES notation for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The canonical SMILES for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane is C[Si]1(C)C[Si](C)(C)O[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(Cl)O1.
What is the InChIKey of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane?
The InChIKey is OAESBBZIFZTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H32Cl2O5Si6/c1-19(2)11-20(3,4)15-24(10,13)18-22(7,8)16-21(5,6)17-23(9,12)14-19/h11H2,1-10H3.
What are the key properties of 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane?
2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane has a molecular weight of 483.79 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-2,4,4,6,6,8,10,10,12,12-decamethyl-1,3,5,7,9-pentaoxa-2,4,6,8,10,12-hexasilacyclododecane is sourced from PubChem (CID 15466488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).