tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane

C15H28Br2OSi — CID 46218442

IUPACtert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CCCCC=C(Br)Br
InChIInChI=1S/C15H28Br2OSi/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h9,11-12H,6-8,10,13H2,1-5H3/b11-9+
InChIKeyICDIPCJRVCXLPT-PKNBQFBNSA-N
MW412.28 g/mol
LogP6.76
Rot. Bonds8

About tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane

tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane (PubChem CID 46218442) has the molecular formula C15H28Br2OSi and a molecular weight of 412.28 g/mol. Its IUPAC name is tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane
PubChem CID46218442
Molecular FormulaC15H28Br2OSi
Molecular Weight412.28 g/mol
Exact Mass410.03
IUPAC Nametert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/CCCCC=C(Br)Br
InChIInChI=1S/C15H28Br2OSi/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h9,11-12H,6-8,10,13H2,1-5H3/b11-9+
InChIKeyICDIPCJRVCXLPT-PKNBQFBNSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
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(E)-((2-bromohex-2-en-1-yl)oxy)(tert-butyl)dimethylsilane
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[(2E,6E)-8-bromo-2,6-dimethylocta-2,6-dienoxy]-tert-butyl-dimethylsilane
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[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethenyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane (CID 46218442) is tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/CCCCC=C(Br)Br.
What is the InChIKey of tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane?
The InChIKey is ICDIPCJRVCXLPT-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H28Br2OSi/c1-15(2,3)19(4,5)18-13-11-9-7-6-8-10-12-14(16)17/h9,11-12H,6-8,10,13H2,1-5H3/b11-9+.
What are the key properties of tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane has a molecular weight of 412.28 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane is sourced from PubChem (CID 46218442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).