tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane

C17H32OSi — CID 58139588

IUPACtert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane
SMILESC#C/C(C)=C/[C@H](C)[C@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-10-12-16(15(4)13-14(3)11-2)18-19(8,9)17(5,6)7/h2,13,15-16H,10,12H2,1,3-9H3/b14-13+/t15-,16-/m0/s1
InChIKeyXETHBKCBWLZCJD-QKMFHXBFSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds6

About tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane (PubChem CID 58139588) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane
PubChem CID58139588
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane
SMILESC#C/C(C)=C/[C@H](C)[C@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-10-12-16(15(4)13-14(3)11-2)18-19(8,9)17(5,6)7/h2,13,15-16H,10,12H2,1,3-9H3/b14-13+/t15-,16-/m0/s1
InChIKeyXETHBKCBWLZCJD-QKMFHXBFSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane (CID 58139588) is tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane is C#C/C(C)=C/[C@H](C)[C@H](CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane?
The InChIKey is XETHBKCBWLZCJD-QKMFHXBFSA-N. The full InChI is InChI=1S/C17H32OSi/c1-10-12-16(15(4)13-14(3)11-2)18-19(8,9)17(5,6)7/h2,13,15-16H,10,12H2,1,3-9H3/b14-13+/t15-,16-/m0/s1.
What are the key properties of tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 58139588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).