bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane

C26H40O2Si — CID 91732788

IUPACbis(2,4-dimethylpentan-3-yloxy)-diphenylsilane
SMILESCC(C)C(O[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H40O2Si/c1-19(2)25(20(3)4)27-29(23-15-11-9-12-16-23,24-17-13-10-14-18-24)28-26(21(5)6)22(7)8/h9-22,25-26H,1-8H3
InChIKeyMODFNQQGMYLBIY-UHFFFAOYSA-N
MW412.69 g/mol
LogP5.64
Rot. Bonds10

About bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane

bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane (PubChem CID 91732788) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane.

Molecular Properties

Compound Namebis(2,4-dimethylpentan-3-yloxy)-diphenylsilane
PubChem CID91732788
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namebis(2,4-dimethylpentan-3-yloxy)-diphenylsilane
SMILESCC(C)C(O[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C26H40O2Si/c1-19(2)25(20(3)4)27-29(23-15-11-9-12-16-23,24-17-13-10-14-18-24)28-26(21(5)6)22(7)8/h9-22,25-26H,1-8H3
InChIKeyMODFNQQGMYLBIY-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 55.64
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 bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane?
The IUPAC name of bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane (CID 91732788) is bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane.
What is the SMILES notation for bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane?
The canonical SMILES for bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane is CC(C)C(O[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane?
The InChIKey is MODFNQQGMYLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-19(2)25(20(3)4)27-29(23-15-11-9-12-16-23,24-17-13-10-14-18-24)28-26(21(5)6)22(7)8/h9-22,25-26H,1-8H3.
What are the key properties of bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane?
bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpentan-3-yloxy)-diphenylsilane is sourced from PubChem (CID 91732788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).