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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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).