tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane

C26H44O3Si2 — CID 134885137

IUPACtert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCOCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O3Si2/c1-24(2,3)30(8,9)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7/h12-13,15,19,23H,17,21-22H2,1-11H3/b13-12-
InChIKeyNTNRGKSNLMQFQL-SEYXRHQNSA-N
MW460.81 g/mol
LogP6.70
Rot. Bonds5

About tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 134885137) has the molecular formula C26H44O3Si2 and a molecular weight of 460.81 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID134885137
Molecular FormulaC26H44O3Si2
Molecular Weight460.81 g/mol
Exact Mass460.28
IUPAC Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESCOCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O3Si2/c1-24(2,3)30(8,9)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7/h12-13,15,19,23H,17,21-22H2,1-11H3/b13-12-
InChIKeyNTNRGKSNLMQFQL-SEYXRHQNSA-N
XLogP6.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.81
LogP ≤ 56.70
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane (CID 134885137) is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane is COCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CCC=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is NTNRGKSNLMQFQL-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H44O3Si2/c1-24(2,3)30(8,9)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7/h12-13,15,19,23H,17,21-22H2,1-11H3/b13-12-.
What are the key properties of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 460.81 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134885137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).