[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane

C15H27BrOSi — CID 164671391

IUPAC[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C\C[C@H](/C=C/C=C/Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27BrOSi/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h7-10,12-14H,11H2,1-6H3/b8-7-,12-9+,13-10+/t14-/m1/s1
InChIKeyOZDLWFKXSCPXAY-BXFYWZFISA-N
MW331.37 g/mol
LogP5.81
Rot. Bonds6

About [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane

[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 164671391) has the molecular formula C15H27BrOSi and a molecular weight of 331.37 g/mol. Its IUPAC name is [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID164671391
Molecular FormulaC15H27BrOSi
Molecular Weight331.37 g/mol
Exact Mass330.10
IUPAC Name[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C\C[C@H](/C=C/C=C/Br)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27BrOSi/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h7-10,12-14H,11H2,1-6H3/b8-7-,12-9+,13-10+/t14-/m1/s1
InChIKeyOZDLWFKXSCPXAY-BXFYWZFISA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3E)-1-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,6-dimethyl-5-trimethylsilyloxyhepta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11374890
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
CID 134987961
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
CID 134993571
tert-butyl-dimethyl-[(3R,4E,6Z)-octa-4,6-dien-3-yl]oxysilane
CID 138982734
[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
CID 146162894
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
CID 164668977
[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 11208484
Cyclohexa-2,4-dien-1-yloxy(trimethyl)silane
CID 12611550
[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 58453186
(5-Bromo-4-methylpenta-2,4-dienoxy)-tert-butyl-dimethylsilane
CID 76790546
[(4R,5E,7E)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxyocta-5,7-dien-1-ynyl]-trimethylsilane
CID 87254471

Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane (CID 164671391) is [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane is C/C=C\C[C@H](/C=C/C=C/Br)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OZDLWFKXSCPXAY-BXFYWZFISA-N. The full InChI is InChI=1S/C15H27BrOSi/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h7-10,12-14H,11H2,1-6H3/b8-7-,12-9+,13-10+/t14-/m1/s1.
What are the key properties of [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane?
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 331.37 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164671391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).