benzene;ethane;zinc

C10H15Zn-3 — CID 173385066

IUPACbenzene;ethane;zinc
SMILES[CH2-]C.[CH2-]C.[Zn].[c-]1ccccc1
InChIInChI=1S/C6H5.2C2H5.Zn/c1-2-4-6-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;
InChIKeyIKGQEHSIACKKOD-UHFFFAOYSA-N
MW200.62 g/mol
LogP3.17
Rot. Bonds

About benzene;ethane;zinc

benzene;ethane;zinc (PubChem CID 173385066) has the molecular formula C10H15Zn-3 and a molecular weight of 200.62 g/mol. Its IUPAC name is benzene;ethane;zinc.

Molecular Properties

Compound Namebenzene;ethane;zinc
PubChem CID173385066
Molecular FormulaC10H15Zn-3
Molecular Weight200.62 g/mol
Exact Mass199.05
IUPAC Namebenzene;ethane;zinc
SMILES[CH2-]C.[CH2-]C.[Zn].[c-]1ccccc1
InChIInChI=1S/C6H5.2C2H5.Zn/c1-2-4-6-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;
InChIKeyIKGQEHSIACKKOD-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 53.17
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;zinc?
The IUPAC name of benzene;ethane;zinc (CID 173385066) is benzene;ethane;zinc.
What is the SMILES notation for benzene;ethane;zinc?
The canonical SMILES for benzene;ethane;zinc is [CH2-]C.[CH2-]C.[Zn].[c-]1ccccc1.
What is the InChIKey of benzene;ethane;zinc?
The InChIKey is IKGQEHSIACKKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.2C2H5.Zn/c1-2-4-6-5-3-1;2*1-2;/h1-5H;2*1H2,2H3;/q3*-1;.
What are the key properties of benzene;ethane;zinc?
benzene;ethane;zinc has a molecular weight of 200.62 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;zinc is sourced from PubChem (CID 173385066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).