benzene;ethane;molybdenum(4+)

C16H20Mo — CID 172553481

IUPACbenzene;ethane;molybdenum(4+)
SMILES[CH2-]C.[CH2-]C.[Mo+4].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C2H5.Mo/c2*1-2-4-6-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4
InChIKeyWQLBHJBEOXPJSS-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.65
Rot. Bonds

About benzene;ethane;molybdenum(4+)

benzene;ethane;molybdenum(4+) (PubChem CID 172553481) has the molecular formula C16H20Mo and a molecular weight of 308.28 g/mol. Its IUPAC name is benzene;ethane;molybdenum(4+).

Molecular Properties

Compound Namebenzene;ethane;molybdenum(4+)
PubChem CID172553481
Molecular FormulaC16H20Mo
Molecular Weight308.28 g/mol
Exact Mass310.06
IUPAC Namebenzene;ethane;molybdenum(4+)
SMILES[CH2-]C.[CH2-]C.[Mo+4].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.2C2H5.Mo/c2*1-2-4-6-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4
InChIKeyWQLBHJBEOXPJSS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;molybdenum(4+)?
The IUPAC name of benzene;ethane;molybdenum(4+) (CID 172553481) is benzene;ethane;molybdenum(4+).
What is the SMILES notation for benzene;ethane;molybdenum(4+)?
The canonical SMILES for benzene;ethane;molybdenum(4+) is [CH2-]C.[CH2-]C.[Mo+4].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;ethane;molybdenum(4+)?
The InChIKey is WQLBHJBEOXPJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2C2H5.Mo/c2*1-2-4-6-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4.
What are the key properties of benzene;ethane;molybdenum(4+)?
benzene;ethane;molybdenum(4+) has a molecular weight of 308.28 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;molybdenum(4+) is sourced from PubChem (CID 172553481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).