2-[(2R)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

• ChemBase ID: 206349
• Molecular Formular: C19H20O5
• Molecular Mass: 328.3591
• Monoisotopic Mass: 328.13107374
• SMILES: O1c2c(C[C@@H]1C(OC(=O)/C(=C/C)/C)(C)C)cc1c(oc(=O)cc1)c2
• Canonical SMILES: C/C=C(/C(=O)OC([C@@H]1Oc2c(C1)cc1c(c2)oc(=O)cc1)(C)C)\C
• InChI: InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m1/s1
• InChIKey: HHNCJFKRMZDTHW-QHQPLOKBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate
• IUPAC Traditional name: 2-[(2R)-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

Database IDs

• PubChem SID: 164262259
• PubChem CID: 906523

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9453309
• LogD (pH = 7.4): 3.9453309
• Log P: 3.9453309
• Molar Refractivity: 90.1707 cm^3
• Polarizability: 34.592506 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds