oxolane;tetraethylazanium;chloride

C12H28ClNO — CID 67914926

IUPACoxolane;tetraethylazanium;chloride
SMILESC1CCOC1.CC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C8H20N.C4H8O.ClH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyVTEKELCVJLXEQH-UHFFFAOYSA-M
MW237.81 g/mol
LogP-0.32
Rot. Bonds4

About oxolane;tetraethylazanium;chloride

oxolane;tetraethylazanium;chloride (PubChem CID 67914926) has the molecular formula C12H28ClNO and a molecular weight of 237.81 g/mol. Its IUPAC name is oxolane;tetraethylazanium;chloride.

Molecular Properties

Compound Nameoxolane;tetraethylazanium;chloride
PubChem CID67914926
Molecular FormulaC12H28ClNO
Molecular Weight237.81 g/mol
Exact Mass237.19
IUPAC Nameoxolane;tetraethylazanium;chloride
SMILESC1CCOC1.CC[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C8H20N.C4H8O.ClH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyVTEKELCVJLXEQH-UHFFFAOYSA-M
XLogP-0.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 oxolane;tetraethylazanium;chloride?
The IUPAC name of oxolane;tetraethylazanium;chloride (CID 67914926) is oxolane;tetraethylazanium;chloride.
What is the SMILES notation for oxolane;tetraethylazanium;chloride?
The canonical SMILES for oxolane;tetraethylazanium;chloride is C1CCOC1.CC[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of oxolane;tetraethylazanium;chloride?
The InChIKey is VTEKELCVJLXEQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C4H8O.ClH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1.
What are the key properties of oxolane;tetraethylazanium;chloride?
oxolane;tetraethylazanium;chloride has a molecular weight of 237.81 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tetraethylazanium;chloride is sourced from PubChem (CID 67914926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).