[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane

C24H49BrOSi — CID 173200490

IUPAC[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
SMILESCCCC[C@H](/C=C\CCCCCCCCCCCBr)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C24H49BrOSi/c1-6-7-19-23(26-22-24(2,3)27(4)5)20-17-15-13-11-9-8-10-12-14-16-18-21-25/h17,20,23,27H,6-16,18-19,21-22H2,1-5H3/b20-17-/t23-/m1/s1
InChIKeyXCDAGOBBIYEJSC-SZPSBJAUSA-N
MW461.65 g/mol
LogP8.68
Rot. Bonds19

About [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane

[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173200490) has the molecular formula C24H49BrOSi and a molecular weight of 461.65 g/mol. Its IUPAC name is [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
PubChem CID173200490
Molecular FormulaC24H49BrOSi
Molecular Weight461.65 g/mol
Exact Mass460.27
IUPAC Name[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
SMILESCCCC[C@H](/C=C\CCCCCCCCCCCBr)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C24H49BrOSi/c1-6-7-19-23(26-22-24(2,3)27(4)5)20-17-15-13-11-9-8-10-12-14-16-18-21-25/h17,20,23,27H,6-16,18-19,21-22H2,1-5H3/b20-17-/t23-/m1/s1
InChIKeyXCDAGOBBIYEJSC-SZPSBJAUSA-N
XLogP8.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane (CID 173200490) is [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane is CCCC[C@H](/C=C\CCCCCCCCCCCBr)OCC(C)(C)[SiH](C)C.
What is the InChIKey of [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is XCDAGOBBIYEJSC-SZPSBJAUSA-N. The full InChI is InChI=1S/C24H49BrOSi/c1-6-7-19-23(26-22-24(2,3)27(4)5)20-17-15-13-11-9-8-10-12-14-16-18-21-25/h17,20,23,27H,6-16,18-19,21-22H2,1-5H3/b20-17-/t23-/m1/s1.
What are the key properties of [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
[1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 461.65 g/mol, XLogP of 8.68, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173200490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).