2,4,4-trimethyl-1,3-oxazolidine

C6H13NO — CID 567614

IUPAC2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1NC(C)(C)CO1
InChIInChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3
InChIKeyNLUVWKFUEKKXTB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.73
Rot. Bonds

About 2,4,4-trimethyl-1,3-oxazolidine

2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 567614) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-1,3-oxazolidine
PubChem CID567614
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,4,4-trimethyl-1,3-oxazolidine
SMILESCC1NC(C)(C)CO1
InChIInChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3
InChIKeyNLUVWKFUEKKXTB-UHFFFAOYSA-N
XLogP0.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2,4,4-trimethyl-1,3-oxazolidine (CID 567614) is 2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2,4,4-trimethyl-1,3-oxazolidine is CC1NC(C)(C)CO1.
What is the InChIKey of 2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is NLUVWKFUEKKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1,3-oxazolidine?
2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 567614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).