tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane

C13H25FOSi — CID 155702338

IUPACtert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane
SMILESC#CCC(F)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FOSi/c1-9-10-11(14)13(5,6)15-16(7,8)12(2,3)4/h1,11H,10H2,2-8H3
InChIKeyLOEMIGUVOJDQGZ-UHFFFAOYSA-N
MW244.43 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane

tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane (PubChem CID 155702338) has the molecular formula C13H25FOSi and a molecular weight of 244.43 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane
PubChem CID155702338
Molecular FormulaC13H25FOSi
Molecular Weight244.43 g/mol
Exact Mass244.17
IUPAC Nametert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane
SMILESC#CCC(F)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FOSi/c1-9-10-11(14)13(5,6)15-16(7,8)12(2,3)4/h1,11H,10H2,2-8H3
InChIKeyLOEMIGUVOJDQGZ-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 54.15
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-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane (CID 155702338) is tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane is C#CCC(F)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane?
The InChIKey is LOEMIGUVOJDQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FOSi/c1-9-10-11(14)13(5,6)15-16(7,8)12(2,3)4/h1,11H,10H2,2-8H3.
What are the key properties of tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane?
tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane has a molecular weight of 244.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane is sourced from PubChem (CID 155702338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).