3-(1,2,2-triphenylpropoxy)oxadisilinane

C24H28O2Si2 — CID 173090734

IUPAC3-(1,2,2-triphenylpropoxy)oxadisilinane
SMILESCC(c1ccccc1)(c1ccccc1)C(O[SiH]1CCCO[SiH2]1)c1ccccc1
InChIInChI=1S/C24H28O2Si2/c1-24(21-14-7-3-8-15-21,22-16-9-4-10-17-22)23(20-12-5-2-6-13-20)26-28-19-11-18-25-27-28/h2-10,12-17,23,28H,11,18-19,27H2,1H3
InChIKeyMGLGYYCRHQERMT-UHFFFAOYSA-N
MW404.66 g/mol
LogP4.48
Rot. Bonds6

About 3-(1,2,2-triphenylpropoxy)oxadisilinane

3-(1,2,2-triphenylpropoxy)oxadisilinane (PubChem CID 173090734) has the molecular formula C24H28O2Si2 and a molecular weight of 404.66 g/mol. Its IUPAC name is 3-(1,2,2-triphenylpropoxy)oxadisilinane.

Molecular Properties

Compound Name3-(1,2,2-triphenylpropoxy)oxadisilinane
PubChem CID173090734
Molecular FormulaC24H28O2Si2
Molecular Weight404.66 g/mol
Exact Mass404.16
IUPAC Name3-(1,2,2-triphenylpropoxy)oxadisilinane
SMILESCC(c1ccccc1)(c1ccccc1)C(O[SiH]1CCCO[SiH2]1)c1ccccc1
InChIInChI=1S/C24H28O2Si2/c1-24(21-14-7-3-8-15-21,22-16-9-4-10-17-22)23(20-12-5-2-6-13-20)26-28-19-11-18-25-27-28/h2-10,12-17,23,28H,11,18-19,27H2,1H3
InChIKeyMGLGYYCRHQERMT-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,2,2-triphenylpropoxy)oxadisilinane?
The IUPAC name of 3-(1,2,2-triphenylpropoxy)oxadisilinane (CID 173090734) is 3-(1,2,2-triphenylpropoxy)oxadisilinane.
What is the SMILES notation for 3-(1,2,2-triphenylpropoxy)oxadisilinane?
The canonical SMILES for 3-(1,2,2-triphenylpropoxy)oxadisilinane is CC(c1ccccc1)(c1ccccc1)C(O[SiH]1CCCO[SiH2]1)c1ccccc1.
What is the InChIKey of 3-(1,2,2-triphenylpropoxy)oxadisilinane?
The InChIKey is MGLGYYCRHQERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2Si2/c1-24(21-14-7-3-8-15-21,22-16-9-4-10-17-22)23(20-12-5-2-6-13-20)26-28-19-11-18-25-27-28/h2-10,12-17,23,28H,11,18-19,27H2,1H3.
What are the key properties of 3-(1,2,2-triphenylpropoxy)oxadisilinane?
3-(1,2,2-triphenylpropoxy)oxadisilinane has a molecular weight of 404.66 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-triphenylpropoxy)oxadisilinane is sourced from PubChem (CID 173090734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).