2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane

C34H58O3Si4 — CID 67819916

IUPAC2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane
SMILESCCC1(c2ccccc2)CC[Si](CC)(O[Si]2(CC)CCC(CC)(c3ccccc3)O[Si]2(CC)CC)[Si](CC)(CC)O1
InChIInChI=1S/C34H58O3Si4/c1-9-33(31-23-19-17-20-24-31)27-29-40(15-7,38(11-3,12-4)35-33)37-41(16-8)30-28-34(10-2,32-25-21-18-22-26-32)36-39(41,13-5)14-6/h17-26H,9-16,27-30H2,1-8H3
InChIKeyHABQLAMNYAHFRE-UHFFFAOYSA-N
MW627.18 g/mol
LogP10.51
Rot. Bonds12

About 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane

2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane (PubChem CID 67819916) has the molecular formula C34H58O3Si4 and a molecular weight of 627.18 g/mol. Its IUPAC name is 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane.

Molecular Properties

Compound Name2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane
PubChem CID67819916
Molecular FormulaC34H58O3Si4
Molecular Weight627.18 g/mol
Exact Mass626.35
IUPAC Name2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane
SMILESCCC1(c2ccccc2)CC[Si](CC)(O[Si]2(CC)CCC(CC)(c3ccccc3)O[Si]2(CC)CC)[Si](CC)(CC)O1
InChIInChI=1S/C34H58O3Si4/c1-9-33(31-23-19-17-20-24-31)27-29-40(15-7,38(11-3,12-4)35-33)37-41(16-8)30-28-34(10-2,32-25-21-18-22-26-32)36-39(41,13-5)14-6/h17-26H,9-16,27-30H2,1-8H3
InChIKeyHABQLAMNYAHFRE-UHFFFAOYSA-N
XLogP10.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.18
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane?
The IUPAC name of 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane (CID 67819916) is 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane.
What is the SMILES notation for 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane?
The canonical SMILES for 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane is CCC1(c2ccccc2)CC[Si](CC)(O[Si]2(CC)CCC(CC)(c3ccccc3)O[Si]2(CC)CC)[Si](CC)(CC)O1.
What is the InChIKey of 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane?
The InChIKey is HABQLAMNYAHFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O3Si4/c1-9-33(31-23-19-17-20-24-31)27-29-40(15-7,38(11-3,12-4)35-33)37-41(16-8)30-28-34(10-2,32-25-21-18-22-26-32)36-39(41,13-5)14-6/h17-26H,9-16,27-30H2,1-8H3.
What are the key properties of 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane?
2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane has a molecular weight of 627.18 g/mol, XLogP of 10.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6-tetraethyl-6-phenyl-3-(2,2,3,6-tetraethyl-6-phenyloxadisilinan-3-yl)oxyoxadisilinane is sourced from PubChem (CID 67819916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).