tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane

C14H27FOSi — CID 173324918

IUPACtert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane
SMILESCC=C1CC(F)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H27FOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h7,12-13H,8-10H2,1-6H3
InChIKeyHQSRYENDSCPIKP-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.85
Rot. Bonds2

About tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane

tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane (PubChem CID 173324918) has the molecular formula C14H27FOSi and a molecular weight of 258.45 g/mol. Its IUPAC name is tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane
PubChem CID173324918
Molecular FormulaC14H27FOSi
Molecular Weight258.45 g/mol
Exact Mass258.18
IUPAC Nametert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane
SMILESCC=C1CC(F)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H27FOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h7,12-13H,8-10H2,1-6H3
InChIKeyHQSRYENDSCPIKP-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane (CID 173324918) is tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane is CC=C1CC(F)CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane?
The InChIKey is HQSRYENDSCPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FOSi/c1-7-11-8-12(15)10-13(9-11)16-17(5,6)14(2,3)4/h7,12-13H,8-10H2,1-6H3.
What are the key properties of tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane?
tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane has a molecular weight of 258.45 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-ethylidene-5-fluorocyclohexyl)oxy-dimethylsilane is sourced from PubChem (CID 173324918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).