4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium

C15H24NO2+ — CID 10947482

IUPAC4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium
SMILESCC1(CC[n+]2ccc(C(C)(C)C)cc2)OCCO1
InChIInChI=1S/C15H24NO2/c1-14(2,3)13-5-8-16(9-6-13)10-7-15(4)17-11-12-18-15/h5-6,8-9H,7,10-12H2,1-4H3/q+1
InChIKeyPODNHMUAJAFRJC-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.42
Rot. Bonds3

About 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium

4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium (PubChem CID 10947482) has the molecular formula C15H24NO2+ and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium
PubChem CID10947482
Molecular FormulaC15H24NO2+
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium
SMILESCC1(CC[n+]2ccc(C(C)(C)C)cc2)OCCO1
InChIInChI=1S/C15H24NO2/c1-14(2,3)13-5-8-16(9-6-13)10-7-15(4)17-11-12-18-15/h5-6,8-9H,7,10-12H2,1-4H3/q+1
InChIKeyPODNHMUAJAFRJC-UHFFFAOYSA-N
XLogP2.42
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium?
The IUPAC name of 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium (CID 10947482) is 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium.
What is the SMILES notation for 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium?
The canonical SMILES for 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium is CC1(CC[n+]2ccc(C(C)(C)C)cc2)OCCO1.
What is the InChIKey of 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium?
The InChIKey is PODNHMUAJAFRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2/c1-14(2,3)13-5-8-16(9-6-13)10-7-15(4)17-11-12-18-15/h5-6,8-9H,7,10-12H2,1-4H3/q+1.
What are the key properties of 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium?
4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium has a molecular weight of 250.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridin-1-ium is sourced from PubChem (CID 10947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).