tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane

C21H26OSSi — CID 11566560

IUPACtert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C21H26OSSi/c1-21(2,3)24(4,5)22-15-18-17-13-9-10-14-19(17)23-20(18)16-11-7-6-8-12-16/h6-14H,15H2,1-5H3
InChIKeyMZGJERQFIFDHKB-UHFFFAOYSA-N
MW354.59 g/mol
LogP7.09
Rot. Bonds4

About tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane

tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane (PubChem CID 11566560) has the molecular formula C21H26OSSi and a molecular weight of 354.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane
PubChem CID11566560
Molecular FormulaC21H26OSSi
Molecular Weight354.59 g/mol
Exact Mass354.15
IUPAC Nametert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C21H26OSSi/c1-21(2,3)24(4,5)22-15-18-17-13-9-10-14-19(17)23-20(18)16-11-7-6-8-12-16/h6-14H,15H2,1-5H3
InChIKeyMZGJERQFIFDHKB-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.59
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane (CID 11566560) is tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane is CC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane?
The InChIKey is MZGJERQFIFDHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OSSi/c1-21(2,3)24(4,5)22-15-18-17-13-9-10-14-19(17)23-20(18)16-11-7-6-8-12-16/h6-14H,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane?
tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane has a molecular weight of 354.59 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-phenyl-1-benzothiophen-3-yl)methoxy]silane is sourced from PubChem (CID 11566560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).