tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane

C20H34OSi — CID 11842730

IUPACtert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane
SMILESCc1cccc(C)c1/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-17-13-12-14-18(2)19(17)15-10-8-9-11-16-21-22(6,7)20(3,4)5/h10,12-15H,8-9,11,16H2,1-7H3/b15-10-
InChIKeyWZSMHBNQLCWGFI-GDNBJRDFSA-N
MW318.58 g/mol
LogP6.51
Rot. Bonds7

About tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane

tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane (PubChem CID 11842730) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane
PubChem CID11842730
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Nametert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane
SMILESCc1cccc(C)c1/C=C\CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34OSi/c1-17-13-12-14-18(2)19(17)15-10-8-9-11-16-21-22(6,7)20(3,4)5/h10,12-15H,8-9,11,16H2,1-7H3/b15-10-
InChIKeyWZSMHBNQLCWGFI-GDNBJRDFSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane (CID 11842730) is tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane is Cc1cccc(C)c1/C=C\CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane?
The InChIKey is WZSMHBNQLCWGFI-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H34OSi/c1-17-13-12-14-18(2)19(17)15-10-8-9-11-16-21-22(6,7)20(3,4)5/h10,12-15H,8-9,11,16H2,1-7H3/b15-10-.
What are the key properties of tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane?
tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-6-(2,6-dimethylphenyl)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11842730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).