3,3,5-trimethyl-1,3-oxazolidin-3-ium

C6H14NO+ — CID 14859592

IUPAC3,3,5-trimethyl-1,3-oxazolidin-3-ium
SMILESCC1C[N+](C)(C)CO1
InChIInChI=1S/C6H14NO/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3/q+1
InChIKeyZTDSHMZWOBHQIQ-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.44
Rot. Bonds

About 3,3,5-trimethyl-1,3-oxazolidin-3-ium

3,3,5-trimethyl-1,3-oxazolidin-3-ium (PubChem CID 14859592) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is 3,3,5-trimethyl-1,3-oxazolidin-3-ium.

Molecular Properties

Compound Name3,3,5-trimethyl-1,3-oxazolidin-3-ium
PubChem CID14859592
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name3,3,5-trimethyl-1,3-oxazolidin-3-ium
SMILESCC1C[N+](C)(C)CO1
InChIInChI=1S/C6H14NO/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3/q+1
InChIKeyZTDSHMZWOBHQIQ-UHFFFAOYSA-N
XLogP0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Oxazolidine, 3-methyl-
CID 214264
Oxazolidine, 2,2,3-trimethyl-
CID 254199
3,3-Dimethyl-1,3-oxazolidin-3-ium bromide
CID 14859589
3,3,5-Trimethyl-1,3-oxazolidin-3-ium bromide
CID 14859591
3-Butyl-1,3-oxazolidine
CID 12589268
1-(5-Methyl-1,3-oxazolidin-3-yl)propan-2-ol
CID 89540
Oxazolidine, 2-ethyl-3-methyl-
CID 559469
1-(2-Methoxyethyl)pyrrolidine
CID 12183844
3-Propyl-1,3-oxazolidine
CID 12541791
3,5,5-Trimethyl-1,3-oxazolidine
CID 58319548
3-Methyl-5-propan-2-yl-1,3-oxazolidine
CID 134235866
2-Methoxypropyl(trimethyl)azanium
CID 115400

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1,3-oxazolidin-3-ium?
The IUPAC name of 3,3,5-trimethyl-1,3-oxazolidin-3-ium (CID 14859592) is 3,3,5-trimethyl-1,3-oxazolidin-3-ium.
What is the SMILES notation for 3,3,5-trimethyl-1,3-oxazolidin-3-ium?
The canonical SMILES for 3,3,5-trimethyl-1,3-oxazolidin-3-ium is CC1C[N+](C)(C)CO1.
What is the InChIKey of 3,3,5-trimethyl-1,3-oxazolidin-3-ium?
The InChIKey is ZTDSHMZWOBHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-6-4-7(2,3)5-8-6/h6H,4-5H2,1-3H3/q+1.
What are the key properties of 3,3,5-trimethyl-1,3-oxazolidin-3-ium?
3,3,5-trimethyl-1,3-oxazolidin-3-ium has a molecular weight of 116.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1,3-oxazolidin-3-ium is sourced from PubChem (CID 14859592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).