4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane

C14H30O3Si — CID 18462796

IUPAC4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane
SMILESCCOC1(OCC)C[Si](C)(C)OC(C)(C)C1(C)C
InChIInChI=1S/C14H30O3Si/c1-9-15-14(16-10-2)11-18(7,8)17-13(5,6)12(14,3)4/h9-11H2,1-8H3
InChIKeyQZAXMGCYOZKFIO-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.80
Rot. Bonds4

About 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane

4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane (PubChem CID 18462796) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane.

Molecular Properties

Compound Name4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane
PubChem CID18462796
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane
SMILESCCOC1(OCC)C[Si](C)(C)OC(C)(C)C1(C)C
InChIInChI=1S/C14H30O3Si/c1-9-15-14(16-10-2)11-18(7,8)17-13(5,6)12(14,3)4/h9-11H2,1-8H3
InChIKeyQZAXMGCYOZKFIO-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane?
The IUPAC name of 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane (CID 18462796) is 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane.
What is the SMILES notation for 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane?
The canonical SMILES for 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane is CCOC1(OCC)C[Si](C)(C)OC(C)(C)C1(C)C.
What is the InChIKey of 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane?
The InChIKey is QZAXMGCYOZKFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-9-15-14(16-10-2)11-18(7,8)17-13(5,6)12(14,3)4/h9-11H2,1-8H3.
What are the key properties of 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane?
4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane has a molecular weight of 274.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-2,2,5,5,6,6-hexamethyloxasilinane is sourced from PubChem (CID 18462796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).