[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane

C26H47BrOSi — CID 87979821

IUPAC[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H47BrOSi/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1
InChIKeyRBFHYCODEUJOMZ-RUZDIDTESA-N
MW483.65 g/mol
LogP8.87
Rot. Bonds14

About [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane

[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 87979821) has the molecular formula C26H47BrOSi and a molecular weight of 483.65 g/mol. Its IUPAC name is [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID87979821
Molecular FormulaC26H47BrOSi
Molecular Weight483.65 g/mol
Exact Mass482.26
IUPAC Name[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](C#CCCCCCCCC#CCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H47BrOSi/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1
InChIKeyRBFHYCODEUJOMZ-RUZDIDTESA-N
XLogP8.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.65
LogP ≤ 58.87
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948326
[(5R)-14-(3-bromopropylsulfanyl)tetradec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948201
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
1-(4-bromophenyl)non-3-yn-2-yloxy-tert-butyl-dimethylsilane
CID 19869767
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
CID 135071982
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
CID 11966927
CID 11966927
1-bromoundec-4-yne
CID 86210220
1-bromodec-4-yne
CID 22621683
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520

Frequently Asked Questions

What is the IUPAC name of [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane (CID 87979821) is [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane is CCCC[C@H](C#CCCCCCCCC#CCCCCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RBFHYCODEUJOMZ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H47BrOSi/c1-7-8-22-25(28-29(5,6)26(2,3)4)23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27/h25H,7-12,14,16-19,21-22,24H2,1-6H3/t25-/m1/s1.
What are the key properties of [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 483.65 g/mol, XLogP of 8.87, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87979821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).