tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane

C18H28OSi — CID 139249096

IUPACtert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
SMILESC#CCC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-7-11-17(19-20(5,6)18(2,3)4)15-14-16-12-9-8-10-13-16/h1,8-10,12-13,17H,11,14-15H2,2-6H3
InChIKeyAEWWUWCQUVMCRB-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.03
Rot. Bonds6

About tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane

tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane (PubChem CID 139249096) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
PubChem CID139249096
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Nametert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
SMILESC#CCC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-7-11-17(19-20(5,6)18(2,3)4)15-14-16-12-9-8-10-13-16/h1,8-10,12-13,17H,11,14-15H2,2-6H3
InChIKeyAEWWUWCQUVMCRB-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane (CID 139249096) is tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane is C#CCC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane?
The InChIKey is AEWWUWCQUVMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-7-11-17(19-20(5,6)18(2,3)4)15-14-16-12-9-8-10-13-16/h1,8-10,12-13,17H,11,14-15H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane?
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane has a molecular weight of 288.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane is sourced from PubChem (CID 139249096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).