tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

C16H30OSi — CID 58420717

IUPACtert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H30OSi/c1-10-11-14(4)12-15(13(2)3)17-18(8,9)16(5,6)7/h1,14-15H,2,11-12H2,3-9H3/t14-,15-/m0/s1
InChIKeyDEJSDOLUZZYVSX-GJZGRUSLSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (PubChem CID 58420717) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
PubChem CID58420717
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C
InChIInChI=1S/C16H30OSi/c1-10-11-14(4)12-15(13(2)3)17-18(8,9)16(5,6)7/h1,14-15H,2,11-12H2,3-9H3/t14-,15-/m0/s1
InChIKeyDEJSDOLUZZYVSX-GJZGRUSLSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (CID 58420717) is tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is C#CC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C.
What is the InChIKey of tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The InChIKey is DEJSDOLUZZYVSX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10-11-14(4)12-15(13(2)3)17-18(8,9)16(5,6)7/h1,14-15H,2,11-12H2,3-9H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 58420717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).