3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine

C8H18N2O3 — CID 172795158

IUPAC3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine
SMILESCC(C)(C)n1oon(C(C)(C)C)o1
InChIInChI=1S/C8H18N2O3/c1-7(2,3)9-11-10(13-12-9)8(4,5)6/h1-6H3
InChIKeyQCHFEOWAVVWVST-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.70
Rot. Bonds

About 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine

3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine (PubChem CID 172795158) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine.

Molecular Properties

Compound Name3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine
PubChem CID172795158
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine
SMILESCC(C)(C)n1oon(C(C)(C)C)o1
InChIInChI=1S/C8H18N2O3/c1-7(2,3)9-11-10(13-12-9)8(4,5)6/h1-6H3
InChIKeyQCHFEOWAVVWVST-UHFFFAOYSA-N
XLogP2.70
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine with MolForge

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

Launch Full Analysis

Related Compounds

2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
CID 123470902
1-tert-butyl-4H-pyridine
CID 58984381
2-(3,5-dioxomorpholin-4-yl)-2-methylpropanoic acid
CID 61327767
1,3-ditert-butyl-2-[4-(1,3-ditert-butyl-1,3,2-diazaborol-2-yl)phenyl]-1,3,2-diazaborole
CID 102186290
5-tert-butyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 164717001
2-tert-butyl-3-methyloxaziridine
CID 21280119
3,4-ditert-butylfuran
CID 15635411
1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
CID 176737740
4-tert-butyl-5-(dimethylamino)-1,2,4-triazole-3-carbaldehyde
CID 83879937
1-tert-butyl-4,5-dihydroimidazol-2-amine
CID 20619857
1-tert-butyl-5-iodopyrazole
CID 83382816
2-tert-butyl-4-methyl-1,2,4-oxadiazolidine-3,5-dione
CID 89379866

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine?
The IUPAC name of 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine (CID 172795158) is 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine.
What is the SMILES notation for 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine?
The canonical SMILES for 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine is CC(C)(C)n1oon(C(C)(C)C)o1.
What is the InChIKey of 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine?
The InChIKey is QCHFEOWAVVWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-7(2,3)9-11-10(13-12-9)8(4,5)6/h1-6H3.
What are the key properties of 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine?
3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine has a molecular weight of 190.24 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1,2,4,3,5-trioxadiazolidine is sourced from PubChem (CID 172795158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).