[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane

C25H49BrOSi — CID 87948326

IUPAC[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](C#CCCCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H49BrOSi/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24H,7-18,20-21,23H2,1-6H3/t24-/m1/s1
InChIKeyGUWNAHPWZWRONU-XMMPIXPASA-N
MW473.66 g/mol
LogP9.26
Rot. Bonds16

About [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane

[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 87948326) has the molecular formula C25H49BrOSi and a molecular weight of 473.66 g/mol. Its IUPAC name is [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID87948326
Molecular FormulaC25H49BrOSi
Molecular Weight473.66 g/mol
Exact Mass472.27
IUPAC Name[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@H](C#CCCCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H49BrOSi/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24H,7-18,20-21,23H2,1-6H3/t24-/m1/s1
InChIKeyGUWNAHPWZWRONU-XMMPIXPASA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 59.26
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)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
[(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
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
CID 11966927
CID 11966927
2-[tert-butyl(dimethyl)silyl]oxytetradeca-6,12-diynenitrile
CID 135071982
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
CID 102072944

Frequently Asked Questions

What is the IUPAC name of [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane (CID 87948326) is [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane is CCCC[C@H](C#CCCCCCCCCCCCCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is GUWNAHPWZWRONU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H49BrOSi/c1-7-8-21-24(27-28(5,6)25(2,3)4)22-19-17-15-13-11-9-10-12-14-16-18-20-23-26/h24H,7-18,20-21,23H2,1-6H3/t24-/m1/s1.
What are the key properties of [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane?
[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 473.66 g/mol, XLogP of 9.26, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87948326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).