tert-butyl-dodecoxy-diphenylsilane

C28H44OSi — CID 11293195

IUPACtert-butyl-dodecoxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44OSi/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27/h14-19,21-24H,5-13,20,25H2,1-4H3
InChIKeyJKAJNOANJVYRBC-UHFFFAOYSA-N
MW424.75 g/mol
LogP7.48
Rot. Bonds14

About tert-butyl-dodecoxy-diphenylsilane

tert-butyl-dodecoxy-diphenylsilane (PubChem CID 11293195) has the molecular formula C28H44OSi and a molecular weight of 424.75 g/mol. Its IUPAC name is tert-butyl-dodecoxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-dodecoxy-diphenylsilane
PubChem CID11293195
Molecular FormulaC28H44OSi
Molecular Weight424.75 g/mol
Exact Mass424.32
IUPAC Nametert-butyl-dodecoxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44OSi/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27/h14-19,21-24H,5-13,20,25H2,1-4H3
InChIKeyJKAJNOANJVYRBC-UHFFFAOYSA-N
XLogP7.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dodecoxy-diphenylsilane?
The IUPAC name of tert-butyl-dodecoxy-diphenylsilane (CID 11293195) is tert-butyl-dodecoxy-diphenylsilane.
What is the SMILES notation for tert-butyl-dodecoxy-diphenylsilane?
The canonical SMILES for tert-butyl-dodecoxy-diphenylsilane is CCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-dodecoxy-diphenylsilane?
The InChIKey is JKAJNOANJVYRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44OSi/c1-5-6-7-8-9-10-11-12-13-20-25-29-30(28(2,3)4,26-21-16-14-17-22-26)27-23-18-15-19-24-27/h14-19,21-24H,5-13,20,25H2,1-4H3.
What are the key properties of tert-butyl-dodecoxy-diphenylsilane?
tert-butyl-dodecoxy-diphenylsilane has a molecular weight of 424.75 g/mol, XLogP of 7.48, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dodecoxy-diphenylsilane is sourced from PubChem (CID 11293195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).