tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane

C22H30O3Si — CID 11760439

IUPACtert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1cc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(6,7)25-19-12-10-17(11-13-19)8-9-18-14-20(23-4)16-21(15-18)24-5/h8-16H,1-7H3/b9-8+
InChIKeyPDINJZXKDVUBFQ-CMDGGOBGSA-N
MW370.57 g/mol
LogP6.26
Rot. Bonds6

About tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane

tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (PubChem CID 11760439) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
PubChem CID11760439
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Nametert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1cc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(6,7)25-19-12-10-17(11-13-19)8-9-18-14-20(23-4)16-21(15-18)24-5/h8-16H,1-7H3/b9-8+
InChIKeyPDINJZXKDVUBFQ-CMDGGOBGSA-N
XLogP6.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (CID 11760439) is tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is COc1cc(/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc(OC)c1.
What is the InChIKey of tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The InChIKey is PDINJZXKDVUBFQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-22(2,3)26(6,7)25-19-12-10-17(11-13-19)8-9-18-14-20(23-4)16-21(15-18)24-5/h8-16H,1-7H3/b9-8+.
What are the key properties of tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane has a molecular weight of 370.57 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 11760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).