2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane

C21H42O3Si3 — CID 54430552

IUPAC2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCC=C[Si]1(C)O[Si](C)(C=CCCCC)O[Si](C)(C=CCCCC)O1
InChIInChI=1S/C21H42O3Si3/c1-7-10-13-16-19-25(4)22-26(5,20-17-14-11-8-2)24-27(6,23-25)21-18-15-12-9-3/h16-21H,7-15H2,1-6H3
InChIKeyWHDRKFONRLQMLD-UHFFFAOYSA-N
MW426.82 g/mol
LogP7.12
Rot. Bonds12

About 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane

2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 54430552) has the molecular formula C21H42O3Si3 and a molecular weight of 426.82 g/mol. Its IUPAC name is 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID54430552
Molecular FormulaC21H42O3Si3
Molecular Weight426.82 g/mol
Exact Mass426.24
IUPAC Name2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCCCC=C[Si]1(C)O[Si](C)(C=CCCCC)O[Si](C)(C=CCCCC)O1
InChIInChI=1S/C21H42O3Si3/c1-7-10-13-16-19-25(4)22-26(5,20-17-14-11-8-2)24-27(6,23-25)21-18-15-12-9-3/h16-21H,7-15H2,1-6H3
InChIKeyWHDRKFONRLQMLD-UHFFFAOYSA-N
XLogP7.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.82
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane (CID 54430552) is 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane is CCCCC=C[Si]1(C)O[Si](C)(C=CCCCC)O[Si](C)(C=CCCCC)O1.
What is the InChIKey of 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is WHDRKFONRLQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3Si3/c1-7-10-13-16-19-25(4)22-26(5,20-17-14-11-8-2)24-27(6,23-25)21-18-15-12-9-3/h16-21H,7-15H2,1-6H3.
What are the key properties of 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 426.82 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(hex-1-enyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 54430552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).