[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane

C20H35FO3Si2 — CID 162446217

IUPAC[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
SMILESC[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C20H35FO3Si2/c1-25(2,13-5-11-22-15-18-16-24-18)19-7-9-20(10-8-19)26(3,4)14-6-12-23-17-21/h7-10,18H,5-6,11-17H2,1-4H3
InChIKeyBVTDOMRBDCAWKE-UHFFFAOYSA-N
MW398.67 g/mol
LogP3.66
Rot. Bonds13

About [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane

[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane (PubChem CID 162446217) has the molecular formula C20H35FO3Si2 and a molecular weight of 398.67 g/mol. Its IUPAC name is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
PubChem CID162446217
Molecular FormulaC20H35FO3Si2
Molecular Weight398.67 g/mol
Exact Mass398.21
IUPAC Name[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane
SMILESC[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCCOCC2CO2)cc1
InChIInChI=1S/C20H35FO3Si2/c1-25(2,13-5-11-22-15-18-16-24-18)19-7-9-20(10-8-19)26(3,4)14-6-12-23-17-21/h7-10,18H,5-6,11-17H2,1-4H3
InChIKeyBVTDOMRBDCAWKE-UHFFFAOYSA-N
XLogP3.66
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.67
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The IUPAC name of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane (CID 162446217) is [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane.
What is the SMILES notation for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The canonical SMILES for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane is C[Si](C)(CCCOCF)c1ccc([Si](C)(C)CCCOCC2CO2)cc1.
What is the InChIKey of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
The InChIKey is BVTDOMRBDCAWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FO3Si2/c1-25(2,13-5-11-22-15-18-16-24-18)19-7-9-20(10-8-19)26(3,4)14-6-12-23-17-21/h7-10,18H,5-6,11-17H2,1-4H3.
What are the key properties of [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane?
[4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane has a molecular weight of 398.67 g/mol, XLogP of 3.66, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]phenyl]-[3-(fluoromethoxy)propyl]-dimethylsilane is sourced from PubChem (CID 162446217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).