cobalt;ethane

C16H40Co-8 — CID 170838312

IUPACcobalt;ethane
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Co]
InChIInChI=1S/8C2H5.Co/c8*1-2;/h8*1H2,2H3;/q8*-1;
InChIKeyDZJLNYQVGPAJPO-UHFFFAOYSA-N
MW291.43 g/mol
LogP6.72
Rot. Bonds

About cobalt;ethane

cobalt;ethane (PubChem CID 170838312) has the molecular formula C16H40Co-8 and a molecular weight of 291.43 g/mol. Its IUPAC name is cobalt;ethane.

Molecular Properties

Compound Namecobalt;ethane
PubChem CID170838312
Molecular FormulaC16H40Co-8
Molecular Weight291.43 g/mol
Exact Mass291.25
IUPAC Namecobalt;ethane
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Co]
InChIInChI=1S/8C2H5.Co/c8*1-2;/h8*1H2,2H3;/q8*-1;
InChIKeyDZJLNYQVGPAJPO-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.43
LogP ≤ 56.72
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 cobalt;ethane?
The IUPAC name of cobalt;ethane (CID 170838312) is cobalt;ethane.
What is the SMILES notation for cobalt;ethane?
The canonical SMILES for cobalt;ethane is [CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Co].
What is the InChIKey of cobalt;ethane?
The InChIKey is DZJLNYQVGPAJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/8C2H5.Co/c8*1-2;/h8*1H2,2H3;/q8*-1;.
What are the key properties of cobalt;ethane?
cobalt;ethane has a molecular weight of 291.43 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;ethane is sourced from PubChem (CID 170838312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).