3-[(2R)-1,4-dioxaspiro[4.5]decan-2-ylmethyl]-2-(propan-2-yl)-1,3-oxazolidine

• ChemBase ID: 182940
• Molecular Formular: C15H27NO3
• Molecular Mass: 269.37978
• Monoisotopic Mass: 269.19909373
• SMILES: N1(C(OCC1)C(C)C)C[C@H]1OC2(OC1)CCCCC2
• Canonical SMILES: CC(C1OCCN1C[C@@H]1COC2(O1)CCCCC2)C
• InChI: InChI=1S/C15H27NO3/c1-12(2)14-16(8-9-17-14)10-13-11-18-15(19-13)6-4-3-5-7-15/h12-14H,3-11H2,1-2H3/t13-,14?/m1/s1
• InChIKey: YOAGPIMCPSNVHW-KWCCSABGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R)-1,4-dioxaspiro[4.5]decan-2-ylmethyl]-2-(propan-2-yl)-1,3-oxazolidine
• IUPAC Traditional name: 3-[(2R)-1,4-dioxaspiro[4.5]decan-2-ylmethyl]-2-isopropyl-1,3-oxazolidine

Database IDs

• PubChem SID: 164238850
• PubChem CID: 16395570

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3546903
• LogD (pH = 7.4): 3.0420804
• Log P: 3.0640762
• Molar Refractivity: 73.7978 cm^3
• Polarizability: 29.77771 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds