2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

C10H21NO2 — CID 123470902

IUPAC2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
SMILESCC(C)(C)N1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21NO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3
InChIKeyKLFVSMXGVHMTCV-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.52
Rot. Bonds

About 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine

2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (PubChem CID 123470902) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.

Molecular Properties

Compound Name2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
PubChem CID123470902
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine
SMILESCC(C)(C)N1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21NO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3
InChIKeyKLFVSMXGVHMTCV-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172795158
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CID 174081130
(4R)-3-tert-butyl-2,2,4-trimethyl-1,3-oxazolidine
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(5R)-4-tert-butyl-2,2,5-trimethylmorpholine
CID 168820806
1-tert-butyl-3,3-dimethylazetidine
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CID 155000461
2,2,3,3,5,6-hexamethyl-1,4-dioxine
CID 122631119
(2S)-2-tert-butyl-3,4,4-trimethyl-1,3-oxazolidine
CID 95562197
(3R)-1-tert-butyl-2,2-dimethylpyrrolidin-3-ol
CID 168820539
4-tert-butyl-2,2-dimethylmorpholine
CID 59539576
4,4,5,5-tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaphospholan-2-ium
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CID 174086504
CID 174086504

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The IUPAC name of 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine (CID 123470902) is 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine.
What is the SMILES notation for 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The canonical SMILES for 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is CC(C)(C)N1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
The InChIKey is KLFVSMXGVHMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3.
What are the key properties of 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine?
2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine has a molecular weight of 187.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxazolidine is sourced from PubChem (CID 123470902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).