tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane

C15H28OSi — CID 5461810

IUPACtert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28OSi/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3
InChIKeyHQSDNUBPNJEFFQ-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane

tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane (PubChem CID 5461810) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane
PubChem CID5461810
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28OSi/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3
InChIKeyHQSDNUBPNJEFFQ-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.59
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-(1-cyclohexylprop-2-ynoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane (CID 5461810) is tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane is C#CC(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane?
The InChIKey is HQSDNUBPNJEFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4/h1,13-14H,8-12H2,2-6H3.
What are the key properties of tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane?
tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclohexylprop-2-ynoxy)-dimethylsilane is sourced from PubChem (CID 5461810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).