[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane

C23H39BrOSi — CID 23439910

IUPAC[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
SMILESCC/C(=C/CCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)c1
InChIInChI=1S/C23H39BrOSi/c1-7-20(21-15-13-17-22(24)19-21)16-14-18-23(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17,19H,7-12,14,18H2,1-6H3/b20-16-
InChIKeyNDPKPRDQJHZWMM-SILNSSARSA-N
MW439.55 g/mol
LogP8.60
Rot. Bonds12

About [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane

[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane (PubChem CID 23439910) has the molecular formula C23H39BrOSi and a molecular weight of 439.55 g/mol. Its IUPAC name is [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
PubChem CID23439910
Molecular FormulaC23H39BrOSi
Molecular Weight439.55 g/mol
Exact Mass438.20
IUPAC Name[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
SMILESCC/C(=C/CCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)c1
InChIInChI=1S/C23H39BrOSi/c1-7-20(21-15-13-17-22(24)19-21)16-14-18-23(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17,19H,7-12,14,18H2,1-6H3/b20-16-
InChIKeyNDPKPRDQJHZWMM-SILNSSARSA-N
XLogP8.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[7-(6-bromo-2-pyridinyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane
CID 90723233
(Z)-2-(3-bromophenyl)-5-phenylpent-2-en-1-ol
CID 19920654
3-(3-bromophenyl)but-2-en-1-ol
CID 67536690
1-bromo-3-(4-methoxybut-2-en-2-yl)benzene
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1-(3-bromophenyl)propan-1-one;ethane
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3-bromobenzoic acid;ethane
CID 143530590
dimethyl 4-[[5-[(E)-6-ethyl-6-triethylsilyloxyoct-2-en-2-yl]thiophen-3-yl]methoxy]benzene-1,2-dicarboxylate
CID 20636313
1-bromo-3-[(2E)-penta-2,4-dien-2-yl]benzene
CID 137396567
[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
CID 43835164

Frequently Asked Questions

What is the IUPAC name of [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The IUPAC name of [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane (CID 23439910) is [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The canonical SMILES for [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane is CC/C(=C/CCC(CC)(CC)O[Si](CC)(CC)CC)c1cccc(Br)c1.
What is the InChIKey of [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
The InChIKey is NDPKPRDQJHZWMM-SILNSSARSA-N. The full InChI is InChI=1S/C23H39BrOSi/c1-7-20(21-15-13-17-22(24)19-21)16-14-18-23(8-2,9-3)25-26(10-4,11-5)12-6/h13,15-17,19H,7-12,14,18H2,1-6H3/b20-16-.
What are the key properties of [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane?
[(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane has a molecular weight of 439.55 g/mol, XLogP of 8.60, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-(3-bromophenyl)-3-ethylnon-6-en-3-yl]oxy-triethylsilane is sourced from PubChem (CID 23439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).