zinc;ethynyl(trimethyl)silane;phenylbenzene

C17H18SiZn — CID 177389765

IUPACzinc;ethynyl(trimethyl)silane;phenylbenzene
SMILES[C-]#C[Si](C)(C)C.[Zn+2].[c-]1ccccc1-c1ccccc1
InChIInChI=1S/C12H9.C5H9Si.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-6(2,3)4;/h1-9H;2-4H3;/q2*-1;+2
InChIKeyJFGFCZJSIOZXJM-UHFFFAOYSA-N
MW315.81 g/mol
LogP4.60
Rot. Bonds1

About zinc;ethynyl(trimethyl)silane;phenylbenzene

zinc;ethynyl(trimethyl)silane;phenylbenzene (PubChem CID 177389765) has the molecular formula C17H18SiZn and a molecular weight of 315.81 g/mol. Its IUPAC name is zinc;ethynyl(trimethyl)silane;phenylbenzene.

Molecular Properties

Compound Namezinc;ethynyl(trimethyl)silane;phenylbenzene
PubChem CID177389765
Molecular FormulaC17H18SiZn
Molecular Weight315.81 g/mol
Exact Mass314.05
IUPAC Namezinc;ethynyl(trimethyl)silane;phenylbenzene
SMILES[C-]#C[Si](C)(C)C.[Zn+2].[c-]1ccccc1-c1ccccc1
InChIInChI=1S/C12H9.C5H9Si.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-6(2,3)4;/h1-9H;2-4H3;/q2*-1;+2
InChIKeyJFGFCZJSIOZXJM-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

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CID 161119758
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CID 173384768
magnesium;1-fluoro-3-phenylbenzene;bromide
CID 90238815
bis(ethynyl(trimethyl)silane);platinum(2+);bis(triphenylphosphane)
CID 12030059
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059
magnesium;5-phenyl-2-phenyl-1,3-oxazole;bromide
CID 58163092
pentane-2,4-diol;5-phenyl-2-phenyl-1,3,4-oxadiazole;platinum
CID 59512705
1,1'-biphenyl;palladium;2-phenylaniline
CID 174222698
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965

Frequently Asked Questions

What is the IUPAC name of zinc;ethynyl(trimethyl)silane;phenylbenzene?
The IUPAC name of zinc;ethynyl(trimethyl)silane;phenylbenzene (CID 177389765) is zinc;ethynyl(trimethyl)silane;phenylbenzene.
What is the SMILES notation for zinc;ethynyl(trimethyl)silane;phenylbenzene?
The canonical SMILES for zinc;ethynyl(trimethyl)silane;phenylbenzene is [C-]#C[Si](C)(C)C.[Zn+2].[c-]1ccccc1-c1ccccc1.
What is the InChIKey of zinc;ethynyl(trimethyl)silane;phenylbenzene?
The InChIKey is JFGFCZJSIOZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9.C5H9Si.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-6(2,3)4;/h1-9H;2-4H3;/q2*-1;+2.
What are the key properties of zinc;ethynyl(trimethyl)silane;phenylbenzene?
zinc;ethynyl(trimethyl)silane;phenylbenzene has a molecular weight of 315.81 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethynyl(trimethyl)silane;phenylbenzene is sourced from PubChem (CID 177389765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).