[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane

C24H49BrOSi — CID 87948307

IUPAC[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](/C=C\CCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H49BrOSi/c1-7-8-20-23(26-27(5,6)24(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-25/h18,21,23H,7-17,19-20,22H2,1-6H3/b21-18-/t23-/m1/s1
InChIKeyYFDUTDBTQFJKBY-WGJMRCBWSA-N
MW461.65 g/mol
LogP9.42
Rot. Bonds17

About [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane

[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 87948307) has the molecular formula C24H49BrOSi and a molecular weight of 461.65 g/mol. Its IUPAC name is [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID87948307
Molecular FormulaC24H49BrOSi
Molecular Weight461.65 g/mol
Exact Mass460.27
IUPAC Name[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](/C=C\CCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H49BrOSi/c1-7-8-20-23(26-27(5,6)24(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-25/h18,21,23H,7-17,19-20,22H2,1-6H3/b21-18-/t23-/m1/s1
InChIKeyYFDUTDBTQFJKBY-WGJMRCBWSA-N
XLogP9.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 59.42
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 [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane (CID 87948307) is [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane is CCCC[C@H](/C=C\CCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YFDUTDBTQFJKBY-WGJMRCBWSA-N. The full InChI is InChI=1S/C24H49BrOSi/c1-7-8-20-23(26-27(5,6)24(2,3)4)21-18-16-14-12-10-9-11-13-15-17-19-22-25/h18,21,23H,7-17,19-20,22H2,1-6H3/b21-18-/t23-/m1/s1.
What are the key properties of [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane?
[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 461.65 g/mol, XLogP of 9.42, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87948307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).