tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane

C13H20Br2OSi — CID 10981777

IUPACtert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CC=C(Br)Br
InChIInChI=1S/C13H20Br2OSi/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h7,9-10H,11H2,1-5H3/b9-7+
InChIKeyCCHDMULNYKPGCS-VQHVLOKHSA-N
MW380.20 g/mol
LogP5.20
Rot. Bonds3

About tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane

tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane (PubChem CID 10981777) has the molecular formula C13H20Br2OSi and a molecular weight of 380.20 g/mol. Its IUPAC name is tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
PubChem CID10981777
Molecular FormulaC13H20Br2OSi
Molecular Weight380.20 g/mol
Exact Mass377.97
IUPAC Nametert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CC=C(Br)Br
InChIInChI=1S/C13H20Br2OSi/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h7,9-10H,11H2,1-5H3/b9-7+
InChIKeyCCHDMULNYKPGCS-VQHVLOKHSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.20
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-(4-bromobut-2-enyloxy)(tert-butyl)dimethylsilane
CID 10999946
tert-butyl(dimethyl)[(2E)-2-penten-4-ynyloxy]silane
CID 10845580
[(E)-4-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11254102
[(E)-4-bromo-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
CID 11161775
[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
CID 11482744
[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11780406
[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane
CID 134831084
tert-butyl-dimethyl-[(Z)-non-2-en-4-ynoxy]silane
CID 134889577
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
[(E)-4-bromo-2-methylbut-2-enoxy]-triethylsilane
CID 11323435
2-Bromoethyl-bis(but-2-enoxy)-methylsilane
CID 54172886
tert-Butyl(dimethyl)[(pent-2-en-4-yn-1-yl)oxy]silane
CID 71339445

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane (CID 10981777) is tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/C#CC=C(Br)Br.
What is the InChIKey of tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane?
The InChIKey is CCHDMULNYKPGCS-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H20Br2OSi/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h7,9-10H,11H2,1-5H3/b9-7+.
What are the key properties of tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane?
tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane has a molecular weight of 380.20 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 10981777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).