ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc

C16H25OSiZn- — CID 145453132

IUPACethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc
SMILESCC[C@H](O)c1ccc(C#C[Si](C)(C)C)cc1.[CH2-]C.[Zn]
InChIInChI=1S/C14H20OSi.C2H5.Zn/c1-5-14(15)13-8-6-12(7-9-13)10-11-16(2,3)4;1-2;/h6-9,14-15H,5H2,1-4H3;1H2,2H3;/q;-1;/t14-;;/m0../s1
InChIKeyYBAXVZMDDUHEGE-UTLKBRERSA-N
MW326.85 g/mol
LogP4.20
Rot. Bonds2

About ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc

ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc (PubChem CID 145453132) has the molecular formula C16H25OSiZn- and a molecular weight of 326.85 g/mol. Its IUPAC name is ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc.

Molecular Properties

Compound Nameethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc
PubChem CID145453132
Molecular FormulaC16H25OSiZn-
Molecular Weight326.85 g/mol
Exact Mass325.10
IUPAC Nameethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc
SMILESCC[C@H](O)c1ccc(C#C[Si](C)(C)C)cc1.[CH2-]C.[Zn]
InChIInChI=1S/C14H20OSi.C2H5.Zn/c1-5-14(15)13-8-6-12(7-9-13)10-11-16(2,3)4;1-2;/h6-9,14-15H,5H2,1-4H3;1H2,2H3;/q;-1;/t14-;;/m0../s1
InChIKeyYBAXVZMDDUHEGE-UTLKBRERSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc?
The IUPAC name of ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc (CID 145453132) is ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc.
What is the SMILES notation for ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc?
The canonical SMILES for ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc is CC[C@H](O)c1ccc(C#C[Si](C)(C)C)cc1.[CH2-]C.[Zn].
What is the InChIKey of ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc?
The InChIKey is YBAXVZMDDUHEGE-UTLKBRERSA-N. The full InChI is InChI=1S/C14H20OSi.C2H5.Zn/c1-5-14(15)13-8-6-12(7-9-13)10-11-16(2,3)4;1-2;/h6-9,14-15H,5H2,1-4H3;1H2,2H3;/q;-1;/t14-;;/m0../s1.
What are the key properties of ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc?
ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc has a molecular weight of 326.85 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc is sourced from PubChem (CID 145453132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).