decoxy-(2-methylpentan-3-yloxy)-diphenylsilane

C28H44O2Si — CID 91743203

IUPACdecoxy-(2-methylpentan-3-yloxy)-diphenylsilane
SMILESCCCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-5-7-8-9-10-11-12-19-24-29-31(26-20-15-13-16-21-26,27-22-17-14-18-23-27)30-28(6-2)25(3)4/h13-18,20-23,25,28H,5-12,19,24H2,1-4H3
InChIKeyDSFKWTHFUFXGDY-UHFFFAOYSA-N
MW440.74 g/mol
LogP6.85
Rot. Bonds16

About decoxy-(2-methylpentan-3-yloxy)-diphenylsilane

decoxy-(2-methylpentan-3-yloxy)-diphenylsilane (PubChem CID 91743203) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is decoxy-(2-methylpentan-3-yloxy)-diphenylsilane.

Molecular Properties

Compound Namedecoxy-(2-methylpentan-3-yloxy)-diphenylsilane
PubChem CID91743203
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedecoxy-(2-methylpentan-3-yloxy)-diphenylsilane
SMILESCCCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-5-7-8-9-10-11-12-19-24-29-31(26-20-15-13-16-21-26,27-22-17-14-18-23-27)30-28(6-2)25(3)4/h13-18,20-23,25,28H,5-12,19,24H2,1-4H3
InChIKeyDSFKWTHFUFXGDY-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of decoxy-(2-methylpentan-3-yloxy)-diphenylsilane?
The IUPAC name of decoxy-(2-methylpentan-3-yloxy)-diphenylsilane (CID 91743203) is decoxy-(2-methylpentan-3-yloxy)-diphenylsilane.
What is the SMILES notation for decoxy-(2-methylpentan-3-yloxy)-diphenylsilane?
The canonical SMILES for decoxy-(2-methylpentan-3-yloxy)-diphenylsilane is CCCCCCCCCCO[Si](OC(CC)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-(2-methylpentan-3-yloxy)-diphenylsilane?
The InChIKey is DSFKWTHFUFXGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-5-7-8-9-10-11-12-19-24-29-31(26-20-15-13-16-21-26,27-22-17-14-18-23-27)30-28(6-2)25(3)4/h13-18,20-23,25,28H,5-12,19,24H2,1-4H3.
What are the key properties of decoxy-(2-methylpentan-3-yloxy)-diphenylsilane?
decoxy-(2-methylpentan-3-yloxy)-diphenylsilane has a molecular weight of 440.74 g/mol, XLogP of 6.85, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-(2-methylpentan-3-yloxy)-diphenylsilane is sourced from PubChem (CID 91743203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).