[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane

C15H27BrOSi — CID 164668977

IUPAC[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
SMILESC=C(Br)CC(/C=C/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H27BrOSi/c1-6-10-11-12-15(13-14(5)16)17-18(7-2,8-3)9-4/h6,10-12,15H,5,7-9,13H2,1-4H3/b10-6+,12-11+
InChIKeyMHGCPHFVYPQVNA-OAJVOTDOSA-N
MW331.37 g/mol
LogP5.81
Rot. Bonds9

About [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane

[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane (PubChem CID 164668977) has the molecular formula C15H27BrOSi and a molecular weight of 331.37 g/mol. Its IUPAC name is [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
PubChem CID164668977
Molecular FormulaC15H27BrOSi
Molecular Weight331.37 g/mol
Exact Mass330.10
IUPAC Name[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane
SMILESC=C(Br)CC(/C=C/C=C/C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H27BrOSi/c1-6-10-11-12-15(13-14(5)16)17-18(7-2,8-3)9-4/h6,10-12,15H,5,7-9,13H2,1-4H3/b10-6+,12-11+
InChIKeyMHGCPHFVYPQVNA-OAJVOTDOSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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[(2E)-5-bromo-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]-triethylsilane
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tert-butyl-dimethyl-[(3R,4E,6Z)-octa-4,6-dien-3-yl]oxysilane
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[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
[(1R,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
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Cyclohexa-2,4-dien-1-yloxy(trimethyl)silane
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(6-Bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-tert-butyl-dimethylsilane
CID 151749783
(6-Bromo-2,3-dihydronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
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[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 174411016
[(3E,5Z)-5-bromododeca-3,5,11-trien-2-yl]oxy-tert-butyl-dimethylsilane
CID 11696431
[(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane?
The IUPAC name of [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane (CID 164668977) is [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane?
The canonical SMILES for [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane is C=C(Br)CC(/C=C/C=C/C)O[Si](CC)(CC)CC.
What is the InChIKey of [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane?
The InChIKey is MHGCPHFVYPQVNA-OAJVOTDOSA-N. The full InChI is InChI=1S/C15H27BrOSi/c1-6-10-11-12-15(13-14(5)16)17-18(7-2,8-3)9-4/h6,10-12,15H,5,7-9,13H2,1-4H3/b10-6+,12-11+.
What are the key properties of [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane?
[(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane has a molecular weight of 331.37 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,7E)-2-bromonona-1,5,7-trien-4-yl]oxy-triethylsilane is sourced from PubChem (CID 164668977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).