ethane;tris(pentane-2,4-dione)

C19H36O6 — CID 158826280

IUPACethane;tris(pentane-2,4-dione)
SMILESCC.CC.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O
InChIInChI=1S/3C5H8O2.2C2H6/c3*1-4(6)3-5(2)7;2*1-2/h3*3H2,1-2H3;2*1-2H3
InChIKeyIWMOMZFZNZOVGP-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.72
Rot. Bonds6

About ethane;tris(pentane-2,4-dione)

ethane;tris(pentane-2,4-dione) (PubChem CID 158826280) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is ethane;tris(pentane-2,4-dione).

Molecular Properties

Compound Nameethane;tris(pentane-2,4-dione)
PubChem CID158826280
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Nameethane;tris(pentane-2,4-dione)
SMILESCC.CC.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O
InChIInChI=1S/3C5H8O2.2C2H6/c3*1-4(6)3-5(2)7;2*1-2/h3*3H2,1-2H3;2*1-2H3
InChIKeyIWMOMZFZNZOVGP-UHFFFAOYSA-N
XLogP3.72
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Lithium pentane-2,4-dione
CID 86735745
CID 159548628
CID 159548628
CID 87073525
CID 87073525
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
CID 15855332
CID 15855332
nickel;pentane-2,4-dione
CID 158705791
silver pentane-2,4-dione
CID 21252539
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
cerium;pentane-2,4-dione;hydrate
CID 86734909

Frequently Asked Questions

What is the IUPAC name of ethane;tris(pentane-2,4-dione)?
The IUPAC name of ethane;tris(pentane-2,4-dione) (CID 158826280) is ethane;tris(pentane-2,4-dione).
What is the SMILES notation for ethane;tris(pentane-2,4-dione)?
The canonical SMILES for ethane;tris(pentane-2,4-dione) is CC.CC.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.
What is the InChIKey of ethane;tris(pentane-2,4-dione)?
The InChIKey is IWMOMZFZNZOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H8O2.2C2H6/c3*1-4(6)3-5(2)7;2*1-2/h3*3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;tris(pentane-2,4-dione)?
ethane;tris(pentane-2,4-dione) has a molecular weight of 360.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tris(pentane-2,4-dione) is sourced from PubChem (CID 158826280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).