2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine

C11H23NO2 — CID 19040210

IUPAC2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine
SMILESCCCCC1OCCN1CCOCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-11-12(8-10-14-11)7-9-13-4-2/h11H,3-10H2,1-2H3
InChIKeyBVRDLIKBNJBDQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds7

About 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine

2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine (PubChem CID 19040210) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine
PubChem CID19040210
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine
SMILESCCCCC1OCCN1CCOCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-11-12(8-10-14-11)7-9-13-4-2/h11H,3-10H2,1-2H3
InChIKeyBVRDLIKBNJBDQQ-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine?
The IUPAC name of 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine (CID 19040210) is 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine?
The canonical SMILES for 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine is CCCCC1OCCN1CCOCC.
What is the InChIKey of 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine?
The InChIKey is BVRDLIKBNJBDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-11-12(8-10-14-11)7-9-13-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine?
2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine has a molecular weight of 201.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2-ethoxyethyl)-1,3-oxazolidine is sourced from PubChem (CID 19040210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).