3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane

C20H34O7Si6 — CID 635882

IUPAC3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si]2(c3ccccc3)O[Si](C)(C)O[Si](C)(C)O[Si](c3ccccc3)(O1)O2
InChIInChI=1S/C20H34O7Si6/c1-28(2)21-29(3,4)24-33(20-17-13-10-14-18-20)26-31(7,8)22-30(5,6)25-32(23-28,27-33)19-15-11-9-12-16-19/h9-18H,1-8H3
InChIKeyHDQVAURKVCCSDX-UHFFFAOYSA-N
MW555.00 g/mol
LogP3.63
Rot. Bonds2

About 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane

3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane (PubChem CID 635882) has the molecular formula C20H34O7Si6 and a molecular weight of 555.00 g/mol. Its IUPAC name is 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane.

Molecular Properties

Compound Name3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
PubChem CID635882
Molecular FormulaC20H34O7Si6
Molecular Weight555.00 g/mol
Exact Mass554.09
IUPAC Name3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
SMILESC[Si]1(C)O[Si](C)(C)O[Si]2(c3ccccc3)O[Si](C)(C)O[Si](C)(C)O[Si](c3ccccc3)(O1)O2
InChIInChI=1S/C20H34O7Si6/c1-28(2)21-29(3,4)24-33(20-17-13-10-14-18-20)26-31(7,8)22-30(5,6)25-32(23-28,27-33)19-15-11-9-12-16-19/h9-18H,1-8H3
InChIKeyHDQVAURKVCCSDX-UHFFFAOYSA-N
XLogP3.63
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.00
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?
The IUPAC name of 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane (CID 635882) is 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane.
What is the SMILES notation for 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?
The canonical SMILES for 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane is C[Si]1(C)O[Si](C)(C)O[Si]2(c3ccccc3)O[Si](C)(C)O[Si](C)(C)O[Si](c3ccccc3)(O1)O2.
What is the InChIKey of 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?
The InChIKey is HDQVAURKVCCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O7Si6/c1-28(2)21-29(3,4)24-33(20-17-13-10-14-18-20)26-31(7,8)22-30(5,6)25-32(23-28,27-33)19-15-11-9-12-16-19/h9-18H,1-8H3.
What are the key properties of 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?
3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane has a molecular weight of 555.00 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,9,9,11,11-octamethyl-1,7-diphenyl-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane is sourced from PubChem (CID 635882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).