5,5-dimethyl-1,4,2-dioxazolidine

C4H9NO2 — CID 159725681

IUPAC5,5-dimethyl-1,4,2-dioxazolidine
SMILESCC1(C)OCNO1
InChIInChI=1S/C4H9NO2/c1-4(2)6-3-5-7-4/h5H,3H2,1-2H3
InChIKeyNAPGGZGBXSASNH-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.23
Rot. Bonds

About 5,5-dimethyl-1,4,2-dioxazolidine

5,5-dimethyl-1,4,2-dioxazolidine (PubChem CID 159725681) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 5,5-dimethyl-1,4,2-dioxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-1,4,2-dioxazolidine
PubChem CID159725681
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name5,5-dimethyl-1,4,2-dioxazolidine
SMILESCC1(C)OCNO1
InChIInChI=1S/C4H9NO2/c1-4(2)6-3-5-7-4/h5H,3H2,1-2H3
InChIKeyNAPGGZGBXSASNH-UHFFFAOYSA-N
XLogP0.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyloxazetidine
CID 91439369
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
CID 160795972
4,4,5,5-tetramethyl-1,2-oxazolidine
CID 58271292
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998
3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
CID 115010708
(1R,2R,6R,8S,9R)-4,4,9-trimethyl-3,5,7-trioxa-11-azatricyclo[6.3.0.02,6]undecane
CID 163624931
4,4,6,6-tetramethyl-1,3-oxazinane
CID 641516
1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 45120452
9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 19106856
(5aS,8aR)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-[1,3]dioxepino[5,6-c]pyrrole
CID 155821556
(5S,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 121337229
(3aS,5R,6aR)-6-chloro-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45038624

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4,2-dioxazolidine?
The IUPAC name of 5,5-dimethyl-1,4,2-dioxazolidine (CID 159725681) is 5,5-dimethyl-1,4,2-dioxazolidine.
What is the SMILES notation for 5,5-dimethyl-1,4,2-dioxazolidine?
The canonical SMILES for 5,5-dimethyl-1,4,2-dioxazolidine is CC1(C)OCNO1.
What is the InChIKey of 5,5-dimethyl-1,4,2-dioxazolidine?
The InChIKey is NAPGGZGBXSASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-4(2)6-3-5-7-4/h5H,3H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,4,2-dioxazolidine?
5,5-dimethyl-1,4,2-dioxazolidine has a molecular weight of 103.12 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4,2-dioxazolidine is sourced from PubChem (CID 159725681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).