2,3-bis(pent-2-enoxy)propyl-trimethylazanium

C16H32NO2+ — CID 72574947

IUPAC2,3-bis(pent-2-enoxy)propyl-trimethylazanium
SMILESCCC=CCOCC(C[N+](C)(C)C)OCC=CCC
InChIInChI=1S/C16H32NO2/c1-6-8-10-12-18-15-16(14-17(3,4)5)19-13-11-9-7-2/h8-11,16H,6-7,12-15H2,1-5H3/q+1
InChIKeyVDXHZUHNJJJDTL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.03
Rot. Bonds11

About 2,3-bis(pent-2-enoxy)propyl-trimethylazanium

2,3-bis(pent-2-enoxy)propyl-trimethylazanium (PubChem CID 72574947) has the molecular formula C16H32NO2+ and a molecular weight of 270.44 g/mol. Its IUPAC name is 2,3-bis(pent-2-enoxy)propyl-trimethylazanium.

Molecular Properties

Compound Name2,3-bis(pent-2-enoxy)propyl-trimethylazanium
PubChem CID72574947
Molecular FormulaC16H32NO2+
Molecular Weight270.44 g/mol
Exact Mass270.24
IUPAC Name2,3-bis(pent-2-enoxy)propyl-trimethylazanium
SMILESCCC=CCOCC(C[N+](C)(C)C)OCC=CCC
InChIInChI=1S/C16H32NO2/c1-6-8-10-12-18-15-16(14-17(3,4)5)19-13-11-9-7-2/h8-11,16H,6-7,12-15H2,1-5H3/q+1
InChIKeyVDXHZUHNJJJDTL-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(pent-2-enoxy)propyl-trimethylazanium?
The IUPAC name of 2,3-bis(pent-2-enoxy)propyl-trimethylazanium (CID 72574947) is 2,3-bis(pent-2-enoxy)propyl-trimethylazanium.
What is the SMILES notation for 2,3-bis(pent-2-enoxy)propyl-trimethylazanium?
The canonical SMILES for 2,3-bis(pent-2-enoxy)propyl-trimethylazanium is CCC=CCOCC(C[N+](C)(C)C)OCC=CCC.
What is the InChIKey of 2,3-bis(pent-2-enoxy)propyl-trimethylazanium?
The InChIKey is VDXHZUHNJJJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32NO2/c1-6-8-10-12-18-15-16(14-17(3,4)5)19-13-11-9-7-2/h8-11,16H,6-7,12-15H2,1-5H3/q+1.
What are the key properties of 2,3-bis(pent-2-enoxy)propyl-trimethylazanium?
2,3-bis(pent-2-enoxy)propyl-trimethylazanium has a molecular weight of 270.44 g/mol, XLogP of 3.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(pent-2-enoxy)propyl-trimethylazanium is sourced from PubChem (CID 72574947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).