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

C12H24O3Si3 — CID 174146652

IUPAC2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCCC=C[SiH]1O[SiH2]O[Si](C=CCC)(C=CCC)O1
InChIInChI=1S/C12H24O3Si3/c1-4-7-10-17-13-16-14-18(15-17,11-8-5-2)12-9-6-3/h7-12,17H,4-6,16H2,1-3H3
InChIKeyHPHYPVDNQGTQRT-UHFFFAOYSA-N
MW300.58 g/mol
LogP2.23
Rot. Bonds6

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

2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 174146652) has the molecular formula C12H24O3Si3 and a molecular weight of 300.58 g/mol. Its IUPAC name is 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID174146652
Molecular FormulaC12H24O3Si3
Molecular Weight300.58 g/mol
Exact Mass300.10
IUPAC Name2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCCC=C[SiH]1O[SiH2]O[Si](C=CCC)(C=CCC)O1
InChIInChI=1S/C12H24O3Si3/c1-4-7-10-17-13-16-14-18(15-17,11-8-5-2)12-9-6-3/h7-12,17H,4-6,16H2,1-3H3
InChIKeyHPHYPVDNQGTQRT-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 52.23
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 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane (CID 174146652) is 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane is CCC=C[SiH]1O[SiH2]O[Si](C=CCC)(C=CCC)O1.
What is the InChIKey of 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is HPHYPVDNQGTQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si3/c1-4-7-10-17-13-16-14-18(15-17,11-8-5-2)12-9-6-3/h7-12,17H,4-6,16H2,1-3H3.
What are the key properties of 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane?
2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 300.58 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-tris(but-1-enyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 174146652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).