[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane

C18H33BrOSi — CID 24777979

IUPAC[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCC/C=C\[C@@H](C#CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi/c1-7-8-9-10-11-12-13-14-17(15-16-19)20-21(5,6)18(2,3)4/h13-14,17H,7-12H2,1-6H3/b14-13-/t17-/m0/s1
InChIKeyJTMJWCGUDZRBJE-NJWFCXLTSA-N
MW373.45 g/mol
LogP6.65
Rot. Bonds9

About [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane

[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 24777979) has the molecular formula C18H33BrOSi and a molecular weight of 373.45 g/mol. Its IUPAC name is [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID24777979
Molecular FormulaC18H33BrOSi
Molecular Weight373.45 g/mol
Exact Mass372.15
IUPAC Name[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCC/C=C\[C@@H](C#CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H33BrOSi/c1-7-8-9-10-11-12-13-14-17(15-16-19)20-21(5,6)18(2,3)4/h13-14,17H,7-12H2,1-6H3/b14-13-/t17-/m0/s1
InChIKeyJTMJWCGUDZRBJE-NJWFCXLTSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Dimethyldodecylsilyloxyoct-3-ene
CID 5353202
(S,Z)-(Heptadeca-1,9-dien-4,6-diyn-3-yloxy)trimethylsilane
CID 91696433
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-dimethyl-[(Z,2R)-undec-3-en-2-yl]oxysilane
CID 134855917
tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
CID 134884613
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
CID 134974571
(2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diyn-1-ol
CID 134974572
tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
CID 138967347
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
CID 138977047
[(E,3R)-11-bromoundec-4-en-6,9-diyn-3-yl]oxy-tert-butyl-dimethylsilane
CID 146162894

Frequently Asked Questions

What is the IUPAC name of [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane (CID 24777979) is [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane is CCCCCCC/C=C\[C@@H](C#CBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JTMJWCGUDZRBJE-NJWFCXLTSA-N. The full InChI is InChI=1S/C18H33BrOSi/c1-7-8-9-10-11-12-13-14-17(15-16-19)20-21(5,6)18(2,3)4/h13-14,17H,7-12H2,1-6H3/b14-13-/t17-/m0/s1.
What are the key properties of [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane?
[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 373.45 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 24777979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).