2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C37H64O8Si4 — CID 172516375

IUPAC2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CC3CC2C2OC32)O[Si](C)(CCC2CCC3OC3C2)O1
InChIInChI=1S/C37H64O8Si4/c1-46(15-11-24-5-8-30-33(19-24)38-30)42-47(2,16-12-25-6-9-31-34(20-25)39-31)44-49(4,18-14-27-22-28-23-29(27)37-36(28)41-37)45-48(3,43-46)17-13-26-7-10-32-35(21-26)40-32/h24-37H,5-23H2,1-4H3
InChIKeyARQVCEOVMYGQKO-UHFFFAOYSA-N
MW749.25 g/mol
LogP8.04
Rot. Bonds12

About 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 172516375) has the molecular formula C37H64O8Si4 and a molecular weight of 749.25 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID172516375
Molecular FormulaC37H64O8Si4
Molecular Weight749.25 g/mol
Exact Mass748.37
IUPAC Name2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CC3CC2C2OC32)O[Si](C)(CCC2CCC3OC3C2)O1
InChIInChI=1S/C37H64O8Si4/c1-46(15-11-24-5-8-30-33(19-24)38-30)42-47(2,16-12-25-6-9-31-34(20-25)39-31)44-49(4,18-14-27-22-28-23-29(27)37-36(28)41-37)45-48(3,43-46)17-13-26-7-10-32-35(21-26)40-32/h24-37H,5-23H2,1-4H3
InChIKeyARQVCEOVMYGQKO-UHFFFAOYSA-N
XLogP8.04
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.25
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 172516375) is 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(CCC2CCC3OC3C2)O[Si](C)(CCC2CCC3OC3C2)O[Si](C)(CCC2CC3CC2C2OC32)O[Si](C)(CCC2CCC3OC3C2)O1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is ARQVCEOVMYGQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64O8Si4/c1-46(15-11-24-5-8-30-33(19-24)38-30)42-47(2,16-12-25-6-9-31-34(20-25)39-31)44-49(4,18-14-27-22-28-23-29(27)37-36(28)41-37)45-48(3,43-46)17-13-26-7-10-32-35(21-26)40-32/h24-37H,5-23H2,1-4H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 749.25 g/mol, XLogP of 8.04, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-8-[2-(3-oxatricyclo[3.2.1.02,4]octan-6-yl)ethyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 172516375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).