2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)

C10H18NO2Rh+ — CID 20793795

IUPAC2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)
SMILESCC(=O)CCC([C-]=O)NC(C)(C)C.[Rh+2]
InChIInChI=1S/C10H18NO2.Rh/c1-8(13)5-6-9(7-12)11-10(2,3)4;/h9,11H,5-6H2,1-4H3;/q-1;+2
InChIKeyGIQDFOLANLWOQX-UHFFFAOYSA-N
MW287.17 g/mol
LogP1.22
Rot. Bonds5

About 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)

2-(tert-butylamino)hexane-1,5-dione;rhodium(2+) (PubChem CID 20793795) has the molecular formula C10H18NO2Rh+ and a molecular weight of 287.17 g/mol. Its IUPAC name is 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+).

Molecular Properties

Compound Name2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)
PubChem CID20793795
Molecular FormulaC10H18NO2Rh+
Molecular Weight287.17 g/mol
Exact Mass287.04
IUPAC Name2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)
SMILESCC(=O)CCC([C-]=O)NC(C)(C)C.[Rh+2]
InChIInChI=1S/C10H18NO2.Rh/c1-8(13)5-6-9(7-12)11-10(2,3)4;/h9,11H,5-6H2,1-4H3;/q-1;+2
InChIKeyGIQDFOLANLWOQX-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)?
The IUPAC name of 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+) (CID 20793795) is 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+).
What is the SMILES notation for 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)?
The canonical SMILES for 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+) is CC(=O)CCC([C-]=O)NC(C)(C)C.[Rh+2].
What is the InChIKey of 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)?
The InChIKey is GIQDFOLANLWOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO2.Rh/c1-8(13)5-6-9(7-12)11-10(2,3)4;/h9,11H,5-6H2,1-4H3;/q-1;+2.
What are the key properties of 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+)?
2-(tert-butylamino)hexane-1,5-dione;rhodium(2+) has a molecular weight of 287.17 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)hexane-1,5-dione;rhodium(2+) is sourced from PubChem (CID 20793795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).