[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane

C17H27BrOSi — CID 146162894

IUPAC[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](/C=C/C#CCC#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H27BrOSi/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1
InChIKeyBSWGVCMSVWVJQY-WCRPCQDQSA-N
MW355.39 g/mol
LogP5.13
Rot. Bonds4

About [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane

[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 146162894) has the molecular formula C17H27BrOSi and a molecular weight of 355.39 g/mol. Its IUPAC name is [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID146162894
Molecular FormulaC17H27BrOSi
Molecular Weight355.39 g/mol
Exact Mass354.10
IUPAC Name[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H](/C=C/C#CCC#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H27BrOSi/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1
InChIKeyBSWGVCMSVWVJQY-WCRPCQDQSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 24777979
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-[(Z)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 135085788
tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 138982535
tert-butyl-[(4E,10Z)-8-ethenyltetradeca-4,10,13-trien-6-yn-3-yl]oxy-dimethylsilane
CID 138982915
tert-butyl-[(3E,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 146163127
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
tert-butyl-[(E)-hept-2-en-5-yn-4-yl]oxy-dimethylsilane
CID 176423948
[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
CID 11208484

Frequently Asked Questions

What is the IUPAC name of [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane (CID 146162894) is [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane is CC[C@H](/C=C/C#CCC#CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is BSWGVCMSVWVJQY-WCRPCQDQSA-N. The full InChI is InChI=1S/C17H27BrOSi/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1.
What are the key properties of [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane?
[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 355.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 146162894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).