3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane

C12H30O3Si3 — CID 66750546

IUPAC3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane
SMILESCCO[Si]1(OCC)[Si](C)(C)CC(C)(C)O[Si]1(C)C
InChIInChI=1S/C12H30O3Si3/c1-9-13-18(14-10-2)16(5,6)11-12(3,4)15-17(18,7)8/h9-11H2,1-8H3
InChIKeyKSPFZNYLTHGFFI-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.38
Rot. Bonds4

About 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane

3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane (PubChem CID 66750546) has the molecular formula C12H30O3Si3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane.

Molecular Properties

Compound Name3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane
PubChem CID66750546
Molecular FormulaC12H30O3Si3
Molecular Weight306.63 g/mol
Exact Mass306.15
IUPAC Name3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane
SMILESCCO[Si]1(OCC)[Si](C)(C)CC(C)(C)O[Si]1(C)C
InChIInChI=1S/C12H30O3Si3/c1-9-13-18(14-10-2)16(5,6)11-12(3,4)15-17(18,7)8/h9-11H2,1-8H3
InChIKeyKSPFZNYLTHGFFI-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.38
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 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane?
The IUPAC name of 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane (CID 66750546) is 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane.
What is the SMILES notation for 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane?
The canonical SMILES for 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane is CCO[Si]1(OCC)[Si](C)(C)CC(C)(C)O[Si]1(C)C.
What is the InChIKey of 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane?
The InChIKey is KSPFZNYLTHGFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O3Si3/c1-9-13-18(14-10-2)16(5,6)11-12(3,4)15-17(18,7)8/h9-11H2,1-8H3.
What are the key properties of 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane?
3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane has a molecular weight of 306.63 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-2,2,4,4,6,6-hexamethyloxatrisilinane is sourced from PubChem (CID 66750546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).