tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane

C17H26O2Si — CID 134833385

IUPACtert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane
SMILESC#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H26O2Si/c1-9-14(15-13-18-17(5,6)19-15)11-10-12-20(7,8)16(2,3)4/h1,11,15H,13H2,2-8H3/b14-11+/t15-/m0/s1
InChIKeyBCIHSUDWAOMOKU-GOFCXVBSSA-N
MW290.48 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane

tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane (PubChem CID 134833385) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane
PubChem CID134833385
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Nametert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane
SMILESC#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C17H26O2Si/c1-9-14(15-13-18-17(5,6)19-15)11-10-12-20(7,8)16(2,3)4/h1,11,15H,13H2,2-8H3/b14-11+/t15-/m0/s1
InChIKeyBCIHSUDWAOMOKU-GOFCXVBSSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane (CID 134833385) is tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane is C#C/C(=C\C#C[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane?
The InChIKey is BCIHSUDWAOMOKU-GOFCXVBSSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-9-14(15-13-18-17(5,6)19-15)11-10-12-20(7,8)16(2,3)4/h1,11,15H,13H2,2-8H3/b14-11+/t15-/m0/s1.
What are the key properties of tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane?
tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane has a molecular weight of 290.48 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1,5-diynyl]-dimethylsilane is sourced from PubChem (CID 134833385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).