hexane-1,5-dione;tungsten

C6H9O2W3- — CID 58974959

IUPAChexane-1,5-dione;tungsten
SMILESCC(=O)CCC[C-]=O.[W].[W].[W]
InChIInChI=1S/C6H9O2.3W/c1-6(8)4-2-3-5-7;;;/h2-4H2,1H3;;;/q-1;;;
InChIKeyWZKIDVMXWHDWOC-UHFFFAOYSA-N
MW664.66 g/mol
LogP0.85
Rot. Bonds4

About hexane-1,5-dione;tungsten

hexane-1,5-dione;tungsten (PubChem CID 58974959) has the molecular formula C6H9O2W3- and a molecular weight of 664.66 g/mol. Its IUPAC name is hexane-1,5-dione;tungsten.

Molecular Properties

Compound Namehexane-1,5-dione;tungsten
PubChem CID58974959
Molecular FormulaC6H9O2W3-
Molecular Weight664.66 g/mol
Exact Mass664.91
IUPAC Namehexane-1,5-dione;tungsten
SMILESCC(=O)CCC[C-]=O.[W].[W].[W]
InChIInChI=1S/C6H9O2.3W/c1-6(8)4-2-3-5-7;;;/h2-4H2,1H3;;;/q-1;;;
InChIKeyWZKIDVMXWHDWOC-UHFFFAOYSA-N
XLogP0.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.66
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
hexane-2,5-dione
CID 8035
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
5-hydroxypentan-2-one
CID 162230963
pentadecane-2,7,13-trione
CID 154620463
4,9-dioxodecanoic acid
CID 87255764
pentadecane-2,7-dione
CID 15360002
bromoethane;hexadecane;pentan-2-one
CID 19601871
6-iodohexan-2-one
CID 11390494

Frequently Asked Questions

What is the IUPAC name of hexane-1,5-dione;tungsten?
The IUPAC name of hexane-1,5-dione;tungsten (CID 58974959) is hexane-1,5-dione;tungsten.
What is the SMILES notation for hexane-1,5-dione;tungsten?
The canonical SMILES for hexane-1,5-dione;tungsten is CC(=O)CCC[C-]=O.[W].[W].[W].
What is the InChIKey of hexane-1,5-dione;tungsten?
The InChIKey is WZKIDVMXWHDWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.3W/c1-6(8)4-2-3-5-7;;;/h2-4H2,1H3;;;/q-1;;;.
What are the key properties of hexane-1,5-dione;tungsten?
hexane-1,5-dione;tungsten has a molecular weight of 664.66 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,5-dione;tungsten is sourced from PubChem (CID 58974959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).