trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium

C15H32N2O4+2 — CID 3089287

IUPACtrimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C15H32N2O4/c1-16(2,3)10-12-20-14(18)8-7-9-15(19)21-13-11-17(4,5)6/h7-13H2,1-6H3/q+2
InChIKeyZVUGHBKYQDHRPU-UHFFFAOYSA-N
MW304.43 g/mol
LogP0.66
Rot. Bonds10

About trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium

trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium (PubChem CID 3089287) has the molecular formula C15H32N2O4+2 and a molecular weight of 304.43 g/mol. Its IUPAC name is trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium
PubChem CID3089287
Molecular FormulaC15H32N2O4+2
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nametrimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCOC(=O)CCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C15H32N2O4/c1-16(2,3)10-12-20-14(18)8-7-9-15(19)21-13-11-17(4,5)6/h7-13H2,1-6H3/q+2
InChIKeyZVUGHBKYQDHRPU-UHFFFAOYSA-N
XLogP0.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium?
The IUPAC name of trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium (CID 3089287) is trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium is C[N+](C)(C)CCOC(=O)CCCC(=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium?
The InChIKey is ZVUGHBKYQDHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-16(2,3)10-12-20-14(18)8-7-9-15(19)21-13-11-17(4,5)6/h7-13H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium?
trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium has a molecular weight of 304.43 g/mol, XLogP of 0.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-oxo-5-[2-(trimethylazaniumyl)ethoxy]pentanoyl]oxyethyl]azanium is sourced from PubChem (CID 3089287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).