tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane

C21H31NOSSi — CID 132602283

IUPACtert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC(/C=C/CCc1ccccc1)c1nccs1
InChIInChI=1S/C21H31NOSSi/c1-21(2,3)25(4,5)23-17-19(20-22-15-16-24-20)14-10-9-13-18-11-7-6-8-12-18/h6-8,10-12,14-16,19H,9,13,17H2,1-5H3/b14-10+
InChIKeyDBBOUQOGNNFETB-GXDHUFHOSA-N
MW373.64 g/mol
LogP6.44
Rot. Bonds8

About tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane

tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane (PubChem CID 132602283) has the molecular formula C21H31NOSSi and a molecular weight of 373.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
PubChem CID132602283
Molecular FormulaC21H31NOSSi
Molecular Weight373.64 g/mol
Exact Mass373.19
IUPAC Nametert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC(/C=C/CCc1ccccc1)c1nccs1
InChIInChI=1S/C21H31NOSSi/c1-21(2,3)25(4,5)23-17-19(20-22-15-16-24-20)14-10-9-13-18-11-7-6-8-12-18/h6-8,10-12,14-16,19H,9,13,17H2,1-5H3/b14-10+
InChIKeyDBBOUQOGNNFETB-GXDHUFHOSA-N
XLogP6.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.64
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane (CID 132602283) is tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane is CC(C)(C)[Si](C)(C)OCC(/C=C/CCc1ccccc1)c1nccs1.
What is the InChIKey of tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane?
The InChIKey is DBBOUQOGNNFETB-GXDHUFHOSA-N. The full InChI is InChI=1S/C21H31NOSSi/c1-21(2,3)25(4,5)23-17-19(20-22-15-16-24-20)14-10-9-13-18-11-7-6-8-12-18/h6-8,10-12,14-16,19H,9,13,17H2,1-5H3/b14-10+.
What are the key properties of tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane has a molecular weight of 373.64 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-6-phenyl-2-(1,3-thiazol-2-yl)hex-3-enoxy]silane is sourced from PubChem (CID 132602283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).