1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane

C19H37FO2Si2 — CID 158076983

IUPAC1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane
SMILESC=C([Si](C)(C)CCCOCCF)[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C19H37FO2Si2/c1-16(23(2,3)13-6-11-21-12-10-20)24(4,5)14-9-17-7-8-18-19(15-17)22-18/h17-19H,1,6-15H2,2-5H3
InChIKeyAFRDYOCUPYFDSM-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.37
Rot. Bonds11

About 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane

1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane (PubChem CID 158076983) has the molecular formula C19H37FO2Si2 and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane.

Molecular Properties

Compound Name1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane
PubChem CID158076983
Molecular FormulaC19H37FO2Si2
Molecular Weight372.67 g/mol
Exact Mass372.23
IUPAC Name1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane
SMILESC=C([Si](C)(C)CCCOCCF)[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C19H37FO2Si2/c1-16(23(2,3)13-6-11-21-12-10-20)24(4,5)14-9-17-7-8-18-19(15-17)22-18/h17-19H,1,6-15H2,2-5H3
InChIKeyAFRDYOCUPYFDSM-UHFFFAOYSA-N
XLogP5.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.37
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 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane?
The IUPAC name of 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane (CID 158076983) is 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane.
What is the SMILES notation for 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane?
The canonical SMILES for 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane is C=C([Si](C)(C)CCCOCCF)[Si](C)(C)CCC1CCC2OC2C1.
What is the InChIKey of 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane?
The InChIKey is AFRDYOCUPYFDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FO2Si2/c1-16(23(2,3)13-6-11-21-12-10-20)24(4,5)14-9-17-7-8-18-19(15-17)22-18/h17-19H,1,6-15H2,2-5H3.
What are the key properties of 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane?
1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane has a molecular weight of 372.67 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethenyl-[3-(2-fluoroethoxy)propyl]-dimethylsilane is sourced from PubChem (CID 158076983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).