tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane

C17H32OSi — CID 89291365

IUPACtert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane
SMILESC#CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(C)C
InChIInChI=1S/C17H32OSi/c1-11-14(4)16(15(5)12-13(2)3)18-19(9,10)17(6,7)8/h1,12,14-16H,2-10H3/t14?,15-,16-/m0/s1
InChIKeyCDNKCOUBXWUPQX-YVZMLIKISA-N
MW280.53 g/mol
LogP5.25
Rot. Bonds5

About tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane (PubChem CID 89291365) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane
PubChem CID89291365
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane
SMILESC#CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(C)C
InChIInChI=1S/C17H32OSi/c1-11-14(4)16(15(5)12-13(2)3)18-19(9,10)17(6,7)8/h1,12,14-16H,2-10H3/t14?,15-,16-/m0/s1
InChIKeyCDNKCOUBXWUPQX-YVZMLIKISA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.25
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-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane (CID 89291365) is tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane is C#CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane?
The InChIKey is CDNKCOUBXWUPQX-YVZMLIKISA-N. The full InChI is InChI=1S/C17H32OSi/c1-11-14(4)16(15(5)12-13(2)3)18-19(9,10)17(6,7)8/h1,12,14-16H,2-10H3/t14?,15-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R,5S)-3,5,7-trimethyloct-6-en-1-yn-4-yl]oxysilane is sourced from PubChem (CID 89291365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).