2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C40H56O4Si4 — CID 54347046

IUPAC2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C[Si]1(C)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C40H56O4Si4/c1-33(37-21-13-9-14-22-37)29-45(5)41-46(6,30-34(2)38-23-15-10-16-24-38)43-48(8,32-36(4)40-27-19-12-20-28-40)44-47(7,42-45)31-35(3)39-25-17-11-18-26-39/h9-28,33-36H,29-32H2,1-8H3
InChIKeyUDALYDPBXVOKDC-UHFFFAOYSA-N
MW713.23 g/mol
LogP11.57
Rot. Bonds12

About 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 54347046) has the molecular formula C40H56O4Si4 and a molecular weight of 713.23 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID54347046
Molecular FormulaC40H56O4Si4
Molecular Weight713.23 g/mol
Exact Mass712.33
IUPAC Name2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C[Si]1(C)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C40H56O4Si4/c1-33(37-21-13-9-14-22-37)29-45(5)41-46(6,30-34(2)38-23-15-10-16-24-38)43-48(8,32-36(4)40-27-19-12-20-28-40)44-47(7,42-45)31-35(3)39-25-17-11-18-26-39/h9-28,33-36H,29-32H2,1-8H3
InChIKeyUDALYDPBXVOKDC-UHFFFAOYSA-N
XLogP11.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms48
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.23
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 54347046) is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C[Si]1(C)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O[Si](C)(CC(C)c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is UDALYDPBXVOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56O4Si4/c1-33(37-21-13-9-14-22-37)29-45(5)41-46(6,30-34(2)38-23-15-10-16-24-38)43-48(8,32-36(4)40-27-19-12-20-28-40)44-47(7,42-45)31-35(3)39-25-17-11-18-26-39/h9-28,33-36H,29-32H2,1-8H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 713.23 g/mol, XLogP of 11.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-phenylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 54347046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).