trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane

C15H22N2OSSi — CID 11232041

IUPACtrimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccnc1Sc1ccccc1
InChIInChI=1S/C15H22N2OSSi/c1-20(2,3)12-11-18-13-17-10-9-16-15(17)19-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyMFSJESJSQKDKTA-UHFFFAOYSA-N
MW306.51 g/mol
LogP4.35
Rot. Bonds7

About trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane (PubChem CID 11232041) has the molecular formula C15H22N2OSSi and a molecular weight of 306.51 g/mol. Its IUPAC name is trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane
PubChem CID11232041
Molecular FormulaC15H22N2OSSi
Molecular Weight306.51 g/mol
Exact Mass306.12
IUPAC Nametrimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccnc1Sc1ccccc1
InChIInChI=1S/C15H22N2OSSi/c1-20(2,3)12-11-18-13-17-10-9-16-15(17)19-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3
InChIKeyMFSJESJSQKDKTA-UHFFFAOYSA-N
XLogP4.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane (CID 11232041) is trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccnc1Sc1ccccc1.
What is the InChIKey of trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane?
The InChIKey is MFSJESJSQKDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OSSi/c1-20(2,3)12-11-18-13-17-10-9-16-15(17)19-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3.
What are the key properties of trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane has a molecular weight of 306.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2-phenylsulfanylimidazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 11232041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).