1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane

C16H40O10Si8 — CID 6330139

IUPAC—
SMILESCC[Si]1O[Si](CC)O[Si]2(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)O[Si](CC)O[Si](CC)(O1)O2
InChIInChI=1S/C16H40O10Si8/c1-9-27-17-28(10-2)20-32(14-6)23-31(13-5,19-27)25-33(15-7)21-29(11-3)18-30(12-4)22-34(16-8,24-33)26-32/h9-16H2,1-8H3
InChIKeyDSQNPMSCRXHYNK-UHFFFAOYSA-N
MW617.17 g/mol
LogP4.06
Rot. Bonds8

About 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane

1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane (PubChem CID 6330139) has the molecular formula C16H40O10Si8 and a molecular weight of 617.17 g/mol.

Molecular Properties

Compound Name1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane
PubChem CID6330139
Molecular FormulaC16H40O10Si8
Molecular Weight617.17 g/mol
Exact Mass616.08
IUPAC Name—
SMILESCC[Si]1O[Si](CC)O[Si]2(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)O[Si](CC)O[Si](CC)(O1)O2
InChIInChI=1S/C16H40O10Si8/c1-9-27-17-28(10-2)20-32(14-6)23-31(13-5,19-27)25-33(15-7)21-29(11-3)18-30(12-4)22-34(16-8,24-33)26-32/h9-16H2,1-8H3
InChIKeyDSQNPMSCRXHYNK-UHFFFAOYSA-N
XLogP4.06
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane?
The IUPAC name of 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane (CID 6330139) is not available.
What is the SMILES notation for 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane?
The canonical SMILES for 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane is CC[Si]1O[Si](CC)O[Si]2(CC)O[Si](CC)(O1)O[Si]1(CC)O[Si](CC)O[Si](CC)O[Si](CC)(O1)O2.
What is the InChIKey of 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane?
The InChIKey is DSQNPMSCRXHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40O10Si8/c1-9-27-17-28(10-2)20-32(14-6)23-31(13-5,19-27)25-33(15-7)21-29(11-3)18-30(12-4)22-34(16-8,24-33)26-32/h9-16H2,1-8H3.
What are the key properties of 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane?
1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane has a molecular weight of 617.17 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,13,15-Octaethyltricyclo[9.5.1.1(3,9)]octasiloxane is sourced from PubChem (CID 6330139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).