(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium

C15H26NO+ — CID 10567910

IUPAC(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium
SMILESC[N+](C)=c1cc(C(C)(C)C)oc(C(C)(C)C)c1
InChIInChI=1S/C15H26NO/c1-14(2,3)12-9-11(16(7)8)10-13(17-12)15(4,5)6/h9-10H,1-8H3/q+1
InChIKeyWBOGDRSZQKYHFC-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.91
Rot. Bonds

About (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium

(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium (PubChem CID 10567910) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium
PubChem CID10567910
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Name(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium
SMILESC[N+](C)=c1cc(C(C)(C)C)oc(C(C)(C)C)c1
InChIInChI=1S/C15H26NO/c1-14(2,3)12-9-11(16(7)8)10-13(17-12)15(4,5)6/h9-10H,1-8H3/q+1
InChIKeyWBOGDRSZQKYHFC-UHFFFAOYSA-N
XLogP2.91
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Ditert-butyl-4-[4-(dimethylamino)phenyl]pyrylium
CID 1734135
(2,6-Ditert-butylpyran-4-ylidene)-dimethylazanium tetrafluoroborate
CID 10567909
InChI=1/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+
CID 5325147
(2,6-Dimethylpyran-4-ylidene)-dimethylazanium iodide
CID 10826500
[4-(2,6-Dimethylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 21828656
(2,6-Ditert-butylpyran-4-ylidene)-diethylazanium
CID 13860404

Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium?
The IUPAC name of (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium (CID 10567910) is (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium.
What is the SMILES notation for (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium?
The canonical SMILES for (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium is C[N+](C)=c1cc(C(C)(C)C)oc(C(C)(C)C)c1.
What is the InChIKey of (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium?
The InChIKey is WBOGDRSZQKYHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO/c1-14(2,3)12-9-11(16(7)8)10-13(17-12)15(4,5)6/h9-10H,1-8H3/q+1.
What are the key properties of (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium?
(2,6-ditert-butylpyran-4-ylidene)-dimethylazanium has a molecular weight of 236.38 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butylpyran-4-ylidene)-dimethylazanium is sourced from PubChem (CID 10567910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).