[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane

C22H37FO2Si2 — CID 162446230

IUPAC[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
SMILESC[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCC2CCC3OC3C2)cc1
InChIInChI=1S/C22H37FO2Si2/c1-26(2,14-5-13-24-17-23)19-7-9-20(10-8-19)27(3,4)15-12-18-6-11-21-22(16-18)25-21/h7-10,18,21-22H,5-6,11-17H2,1-4H3
InChIKeyXCEAVAFCKCIPSN-UHFFFAOYSA-N
MW408.71 g/mol
LogP4.81
Rot. Bonds10

About [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane

[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane (PubChem CID 162446230) has the molecular formula C22H37FO2Si2 and a molecular weight of 408.71 g/mol. Its IUPAC name is [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
PubChem CID162446230
Molecular FormulaC22H37FO2Si2
Molecular Weight408.71 g/mol
Exact Mass408.23
IUPAC Name[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
SMILESC[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCC2CCC3OC3C2)cc1
InChIInChI=1S/C22H37FO2Si2/c1-26(2,14-5-13-24-17-23)19-7-9-20(10-8-19)27(3,4)15-12-18-6-11-21-22(16-18)25-21/h7-10,18,21-22H,5-6,11-17H2,1-4H3
InChIKeyXCEAVAFCKCIPSN-UHFFFAOYSA-N
XLogP4.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The IUPAC name of [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane (CID 162446230) is [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane.
What is the SMILES notation for [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The canonical SMILES for [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane is C[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCC2CCC3OC3C2)cc1.
What is the InChIKey of [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The InChIKey is XCEAVAFCKCIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37FO2Si2/c1-26(2,14-5-13-24-17-23)19-7-9-20(10-8-19)27(3,4)15-12-18-6-11-21-22(16-18)25-21/h7-10,18,21-22H,5-6,11-17H2,1-4H3.
What are the key properties of [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
[4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane has a molecular weight of 408.71 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane is sourced from PubChem (CID 162446230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).