tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane

C16H30OSi — CID 54405400

IUPACtert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,14H,9-13H2,2-7H3/t16-/m1/s1
InChIKeyVQIGMWJGEUVIMN-MRXNPFEDSA-N
MW266.50 g/mol
LogP4.98
Rot. Bonds3

About tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane (PubChem CID 54405400) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane
PubChem CID54405400
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,14H,9-13H2,2-7H3/t16-/m1/s1
InChIKeyVQIGMWJGEUVIMN-MRXNPFEDSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane (CID 54405400) is tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane is C#C[C@@](C)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane?
The InChIKey is VQIGMWJGEUVIMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-16(5,14-12-10-9-11-13-14)17-18(6,7)15(2,3)4/h1,14H,9-13H2,2-7H3/t16-/m1/s1.
What are the key properties of tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-cyclohexylbut-3-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 54405400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).