tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine

C11H23NO3 — CID 143439621

IUPACtert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine
SMILESCC(C)(C)OC=O.CC1COC(C)(C)N1
InChIInChI=1S/C6H13NO.C5H10O2/c1-5-4-8-6(2,3)7-5;1-5(2,3)7-4-6/h5,7H,4H2,1-3H3;4H,1-3H3
InChIKeyRICKAKUDGXGBOM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine

tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine (PubChem CID 143439621) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Nametert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine
PubChem CID143439621
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine
SMILESCC(C)(C)OC=O.CC1COC(C)(C)N1
InChIInChI=1S/C6H13NO.C5H10O2/c1-5-4-8-6(2,3)7-5;1-5(2,3)7-4-6/h5,7H,4H2,1-3H3;4H,1-3H3
InChIKeyRICKAKUDGXGBOM-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine 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

tert-butyl formate;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 174484785
tert-butyl formate;5-oxa-2-azabicyclo[2.1.0]pentane
CID 174934181
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethane
CID 175326717
tert-butyl formate;(2S)-2-methylpiperazine
CID 158074462
tert-butyl formate;2,6-dimethylpiperidin-4-ol
CID 174682531
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;2-methylpiperidin-4-one
CID 158709140
(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
CID 130656460
tert-butyl formate;1,3-oxazolidine
CID 174393866
tert-butyl formate;4-ethynyl-2-methylpyrrolidine
CID 174782211
tert-butyl formate;3-methylpyrrolidin-3-amine
CID 174689676

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine?
The IUPAC name of tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine (CID 143439621) is tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine is CC(C)(C)OC=O.CC1COC(C)(C)N1.
What is the InChIKey of tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine?
The InChIKey is RICKAKUDGXGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H10O2/c1-5-4-8-6(2,3)7-5;1-5(2,3)7-4-6/h5,7H,4H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine?
tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine has a molecular weight of 217.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;2,2,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 143439621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).