tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane

C18H26F2O2Si — CID 10958769

IUPACtert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC(F)F)COCc1ccccc1
InChIInChI=1S/C18H26F2O2Si/c1-18(2,3)23(4,5)22-16(11-12-17(19)20)14-21-13-15-9-7-6-8-10-15/h6-10,16-17H,13-14H2,1-5H3
InChIKeyJBMUTQLZIPJBEC-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.86
Rot. Bonds6

About tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane

tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane (PubChem CID 10958769) has the molecular formula C18H26F2O2Si and a molecular weight of 340.49 g/mol. Its IUPAC name is tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane
PubChem CID10958769
Molecular FormulaC18H26F2O2Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Nametert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C#CC(F)F)COCc1ccccc1
InChIInChI=1S/C18H26F2O2Si/c1-18(2,3)23(4,5)22-16(11-12-17(19)20)14-21-13-15-9-7-6-8-10-15/h6-10,16-17H,13-14H2,1-5H3
InChIKeyJBMUTQLZIPJBEC-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane (CID 10958769) is tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC(C#CC(F)F)COCc1ccccc1.
What is the InChIKey of tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane?
The InChIKey is JBMUTQLZIPJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O2Si/c1-18(2,3)23(4,5)22-16(11-12-17(19)20)14-21-13-15-9-7-6-8-10-15/h6-10,16-17H,13-14H2,1-5H3.
What are the key properties of tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane?
tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane has a molecular weight of 340.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-difluoro-1-phenylmethoxypent-3-yn-2-yl)oxy-dimethylsilane is sourced from PubChem (CID 10958769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).