cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)

C16H32CoN2O2 — CID 90330755

IUPACcobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
SMILESC/C(=N\C(C)C)C(C)(C)[O-].C/C(=N\C(C)C)C(C)(C)[O-].[Co+2]
InChIInChI=1S/2C8H16NO.Co/c2*1-6(2)9-7(3)8(4,5)10;/h2*6H,1-5H3;/q2*-1;+2/b2*9-7+;
InChIKeyLYVZGNBMSHODPT-OMWVKWIASA-N
MW343.38 g/mol
LogP1.99
Rot. Bonds4

About cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)

cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate) (PubChem CID 90330755) has the molecular formula C16H32CoN2O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate).

Molecular Properties

Compound Namecobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
PubChem CID90330755
Molecular FormulaC16H32CoN2O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC Namecobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)
SMILESC/C(=N\C(C)C)C(C)(C)[O-].C/C(=N\C(C)C)C(C)(C)[O-].[Co+2]
InChIInChI=1S/2C8H16NO.Co/c2*1-6(2)9-7(3)8(4,5)10;/h2*6H,1-5H3;/q2*-1;+2/b2*9-7+;
InChIKeyLYVZGNBMSHODPT-OMWVKWIASA-N
XLogP1.99
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)?
The IUPAC name of cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate) (CID 90330755) is cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate).
What is the SMILES notation for cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)?
The canonical SMILES for cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate) is C/C(=N\C(C)C)C(C)(C)[O-].C/C(=N\C(C)C)C(C)(C)[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)?
The InChIKey is LYVZGNBMSHODPT-OMWVKWIASA-N. The full InChI is InChI=1S/2C8H16NO.Co/c2*1-6(2)9-7(3)8(4,5)10;/h2*6H,1-5H3;/q2*-1;+2/b2*9-7+;.
What are the key properties of cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate)?
cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate) has a molecular weight of 343.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-methyl-3-propan-2-yliminobutan-2-olate) is sourced from PubChem (CID 90330755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).