tert-butyl-dimethyl-(3-phenylpropoxy)silane

C15H26OSi — CID 10083485

IUPACtert-butyl-dimethyl-(3-phenylpropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccccc1
InChIInChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3
InChIKeyQVBRYOLTADZTIR-UHFFFAOYSA-N
MW250.46 g/mol
LogP4.64
Rot. Bonds5

About tert-butyl-dimethyl-(3-phenylpropoxy)silane

tert-butyl-dimethyl-(3-phenylpropoxy)silane (PubChem CID 10083485) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-phenylpropoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-phenylpropoxy)silane
PubChem CID10083485
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Nametert-butyl-dimethyl-(3-phenylpropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccccc1
InChIInChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3
InChIKeyQVBRYOLTADZTIR-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.64
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-dimethyl-(3-phenylpropoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-phenylpropoxy)silane (CID 10083485) is tert-butyl-dimethyl-(3-phenylpropoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-phenylpropoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-phenylpropoxy)silane is CC(C)(C)[Si](C)(C)OCCCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(3-phenylpropoxy)silane?
The InChIKey is QVBRYOLTADZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-15(2,3)17(4,5)16-13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,9,12-13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(3-phenylpropoxy)silane?
tert-butyl-dimethyl-(3-phenylpropoxy)silane has a molecular weight of 250.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-phenylpropoxy)silane is sourced from PubChem (CID 10083485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).