tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane

C16H28OSi — CID 10890759

IUPACtert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane
SMILESCC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(17-18(5,6)16(2,3)4)12-13-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3
InChIKeyNDUAJYXGZATIGE-UHFFFAOYSA-N
MW264.48 g/mol
LogP5.03
Rot. Bonds5

About tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane

tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane (PubChem CID 10890759) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane
PubChem CID10890759
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane
SMILESCC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28OSi/c1-14(17-18(5,6)16(2,3)4)12-13-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3
InChIKeyNDUAJYXGZATIGE-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane (CID 10890759) is tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane is CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane?
The InChIKey is NDUAJYXGZATIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-14(17-18(5,6)16(2,3)4)12-13-15-10-8-7-9-11-15/h7-11,14H,12-13H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane?
tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane has a molecular weight of 264.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-phenylbutan-2-yloxy)silane is sourced from PubChem (CID 10890759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).