2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten

C7H11N2O2W-3 — CID 140525116

IUPAC2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
SMILES[H]/[C-]=C(/C)C=C(C)C.[N-]=O.[N-]=O.[W]
InChIInChI=1S/C7H11.2NO.W/c1-6(2)5-7(3)4;2*1-2;/h1,5H,2-4H3;;;/q3*-1;
InChIKeyBQCPUKIALBRUKX-UHFFFAOYSA-N
MW339.02 g/mol
LogP2.97
Rot. Bonds1

About 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten

2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten (PubChem CID 140525116) has the molecular formula C7H11N2O2W-3 and a molecular weight of 339.02 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten.

Molecular Properties

Compound Name2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
PubChem CID140525116
Molecular FormulaC7H11N2O2W-3
Molecular Weight339.02 g/mol
Exact Mass339.03
IUPAC Name2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten
SMILES[H]/[C-]=C(/C)C=C(C)C.[N-]=O.[N-]=O.[W]
InChIInChI=1S/C7H11.2NO.W/c1-6(2)5-7(3)4;2*1-2;/h1,5H,2-4H3;;;/q3*-1;
InChIKeyBQCPUKIALBRUKX-UHFFFAOYSA-N
XLogP2.97
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.02
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chromium(2+);2,4-dimethylpenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 131717665
bis(2-methylbuta-1,3-diene);nickel(2+)
CID 173162838
2,4-dimethylpenta-1,3-diene;methanolate;tris(4-phenylbuta-1,3-dienylbenzene);titanium(4+)
CID 173316539
2,3-dimethylbuta-1,3-diene;pentakis(yttrium)
CID 58460586
(3Z)-2-methylpenta-1,3-diene;yttrium
CID 58172805
magnesium bis(3-methylbut-2-enoate)
CID 140862404
carbanide;cyclopenta-1,3-diene;2,4-dimethylpenta-1,3-diene;2,4-dimethylpenta-1,3-diene;1-methylcyclopenta-1,3-diene;ruthenium;ruthenium(3+)
CID 161069959
2-methylprop-2-enoic acid;prop-1-ene;zinc
CID 174795335
3-methylbut-2-enoyl iodide
CID 12715993
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
alumane;2-methylbut-2-ene
CID 174293100

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten?
The IUPAC name of 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten (CID 140525116) is 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten.
What is the SMILES notation for 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten?
The canonical SMILES for 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten is [H]/[C-]=C(/C)C=C(C)C.[N-]=O.[N-]=O.[W].
What is the InChIKey of 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten?
The InChIKey is BQCPUKIALBRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11.2NO.W/c1-6(2)5-7(3)4;2*1-2;/h1,5H,2-4H3;;;/q3*-1;.
What are the key properties of 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten?
2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten has a molecular weight of 339.02 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpenta-1,3-diene;nitroxyl anion;tungsten is sourced from PubChem (CID 140525116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).