9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C24H27NO6 — CID 146517677

About 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 146517677) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• PubChem CID: 146517677
• Molecular Formula: C24H27NO6
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.18
• IUPAC Name: 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(O)CCOC[C@H]1C(=O)OCN1C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H27NO6/c1-24(2,28)11-12-29-14-21-22(26)31-15-25(21)23(27)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,28H,11-15H2,1-2H3/t21-/m0/s1
• InChIKey: DBZKRFDPQIGLCJ-NRFANRHFSA-N
• XLogP: 3.30
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 146517677) is 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(O)CCOC[C@H]1C(=O)OCN1C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

The InChIKey is DBZKRFDPQIGLCJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27NO6/c1-24(2,28)11-12-29-14-21-22(26)31-15-25(21)23(27)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,28H,11-15H2,1-2H3/t21-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?

9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl (4S)-4-[(3-hydroxy-3-methylbutoxy)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 146517677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).