tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane

C20H32O3Si — CID 134973570

IUPACtert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane
SMILESCOc1cc(C=C=CCCCO[Si](C)(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(6,7)23-13-11-9-8-10-12-17-14-18(21-4)16-19(15-17)22-5/h8,12,14-16H,9,11,13H2,1-7H3
InChIKeyNPVBGFGTWRTXMR-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.67
Rot. Bonds8

About tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane

tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane (PubChem CID 134973570) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane
PubChem CID134973570
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nametert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane
SMILESCOc1cc(C=C=CCCCO[Si](C)(C)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(6,7)23-13-11-9-8-10-12-17-14-18(21-4)16-19(15-17)22-5/h8,12,14-16H,9,11,13H2,1-7H3
InChIKeyNPVBGFGTWRTXMR-UHFFFAOYSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.67
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane (CID 134973570) is tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane is COc1cc(C=C=CCCCO[Si](C)(C)C(C)(C)C)cc(OC)c1.
What is the InChIKey of tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane?
The InChIKey is NPVBGFGTWRTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-20(2,3)24(6,7)23-13-11-9-8-10-12-17-14-18(21-4)16-19(15-17)22-5/h8,12,14-16H,9,11,13H2,1-7H3.
What are the key properties of tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane?
tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane has a molecular weight of 348.56 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(3,5-dimethoxyphenyl)hexa-4,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 134973570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).