2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten

C12H26NO2W- — CID 58572299

IUPAC2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten
SMILESCC(C)(C)CCCCOCCOCC[NH-].[W]
InChIInChI=1S/C12H26NO2.W/c1-12(2,3)6-4-5-8-14-10-11-15-9-7-13;/h13H,4-11H2,1-3H3;/q-1;
InChIKeyWMCJRVQDCIMHJA-UHFFFAOYSA-N
MW400.19 g/mol
LogP3.29
Rot. Bonds9

About 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten

2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten (PubChem CID 58572299) has the molecular formula C12H26NO2W- and a molecular weight of 400.19 g/mol. Its IUPAC name is 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten.

Molecular Properties

Compound Name2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten
PubChem CID58572299
Molecular FormulaC12H26NO2W-
Molecular Weight400.19 g/mol
Exact Mass400.15
IUPAC Name2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten
SMILESCC(C)(C)CCCCOCCOCC[NH-].[W]
InChIInChI=1S/C12H26NO2.W/c1-12(2,3)6-4-5-8-14-10-11-15-9-7-13;/h13H,4-11H2,1-3H3;/q-1;
InChIKeyWMCJRVQDCIMHJA-UHFFFAOYSA-N
XLogP3.29
TPSA42.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten?
The IUPAC name of 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten (CID 58572299) is 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten.
What is the SMILES notation for 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten?
The canonical SMILES for 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten is CC(C)(C)CCCCOCCOCC[NH-].[W].
What is the InChIKey of 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten?
The InChIKey is WMCJRVQDCIMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO2.W/c1-12(2,3)6-4-5-8-14-10-11-15-9-7-13;/h13H,4-11H2,1-3H3;/q-1;.
What are the key properties of 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten?
2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten has a molecular weight of 400.19 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,5-dimethylhexoxy)ethoxy]ethylazanide;tungsten is sourced from PubChem (CID 58572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).