9H-fluoren-9-ylmethyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

• ChemBase ID: 245610
• Molecular Formular: C21H21NO4
• Molecular Mass: 351.39574
• Monoisotopic Mass: 351.14705816
• SMILES: C1(c2c(c3c1cccc3)cccc2)COC(=O)NC1C(=O)OC(C1)(C)C
• Canonical SMILES: O=C(NC1CC(OC1=O)(C)C)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H21NO4/c1-21(2)11-18(19(23)26-21)22-20(24)25-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,22,24)
• InChIKey: QEVUGTQUQFVVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
• Synonyms: 9H-fluoren-9-ylmethyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

Database IDs

• MDL Number: MFCD23144105
• PubChem SID: 164301520
• PubChem CID: 71757753

CALCULATED PROPERTIES

• Acid pKa: 13.470275
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4199896
• LogD (pH = 7.4): 3.4199893
• Log P: 3.4199896
• Molar Refractivity: 96.551 cm^3
• Polarizability: 39.046856 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.613

Product Information

• Purity: 95%