2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

C16H40Cl2O5Si5 — CID 14363072

IUPAC2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC[Si]1(Cl)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C16H40Cl2O5Si5/c1-9-24(10-2)19-25(11-3,12-4)21-28(18,16-8)23-26(13-5,14-6)22-27(17,15-7)20-24/h9-16H2,1-8H3
InChIKeyWHOIBDHQHRMQSY-UHFFFAOYSA-N
MW523.83 g/mol
LogP6.92
Rot. Bonds8

About 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (PubChem CID 14363072) has the molecular formula C16H40Cl2O5Si5 and a molecular weight of 523.83 g/mol. Its IUPAC name is 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.

Molecular Properties

Compound Name2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
PubChem CID14363072
Molecular FormulaC16H40Cl2O5Si5
Molecular Weight523.83 g/mol
Exact Mass522.11
IUPAC Name2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
SMILESCC[Si]1(Cl)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChIInChI=1S/C16H40Cl2O5Si5/c1-9-24(10-2)19-25(11-3,12-4)21-28(18,16-8)23-26(13-5,14-6)22-27(17,15-7)20-24/h9-16H2,1-8H3
InChIKeyWHOIBDHQHRMQSY-UHFFFAOYSA-N
XLogP6.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.83
LogP ≤ 56.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The IUPAC name of 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane (CID 14363072) is 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane.
What is the SMILES notation for 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The canonical SMILES for 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is CC[Si]1(Cl)O[Si](CC)(CC)O[Si](Cl)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1.
What is the InChIKey of 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
The InChIKey is WHOIBDHQHRMQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40Cl2O5Si5/c1-9-24(10-2)19-25(11-3,12-4)21-28(18,16-8)23-26(13-5,14-6)22-27(17,15-7)20-24/h9-16H2,1-8H3.
What are the key properties of 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane?
2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane has a molecular weight of 523.83 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-2,4,4,6,8,8,10,10-octaethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane is sourced from PubChem (CID 14363072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).