4-ethyl-2,2-dipentyl-1,3-oxazolidine

C15H31NO — CID 139237408

IUPAC4-ethyl-2,2-dipentyl-1,3-oxazolidine
SMILESCCCCCC1(CCCCC)NC(CC)CO1
InChIInChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3
InChIKeyPXJOFCGHTLJRSP-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.24
Rot. Bonds9

About 4-ethyl-2,2-dipentyl-1,3-oxazolidine

4-ethyl-2,2-dipentyl-1,3-oxazolidine (PubChem CID 139237408) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-ethyl-2,2-dipentyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-ethyl-2,2-dipentyl-1,3-oxazolidine
PubChem CID139237408
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-ethyl-2,2-dipentyl-1,3-oxazolidine
SMILESCCCCCC1(CCCCC)NC(CC)CO1
InChIInChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3
InChIKeyPXJOFCGHTLJRSP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-2,2-dipentyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The IUPAC name of 4-ethyl-2,2-dipentyl-1,3-oxazolidine (CID 139237408) is 4-ethyl-2,2-dipentyl-1,3-oxazolidine.
What is the SMILES notation for 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The canonical SMILES for 4-ethyl-2,2-dipentyl-1,3-oxazolidine is CCCCCC1(CCCCC)NC(CC)CO1.
What is the InChIKey of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
The InChIKey is PXJOFCGHTLJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-9-11-15(12-10-8-5-2)16-14(6-3)13-17-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dipentyl-1,3-oxazolidine?
4-ethyl-2,2-dipentyl-1,3-oxazolidine has a molecular weight of 241.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dipentyl-1,3-oxazolidine is sourced from PubChem (CID 139237408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).