tricyclo[5.2.1.02,6]dec-3-en-8-yl 2-methylprop-2-enoate tricyclo[5.2.1.02,6]dec-4-en-8-yl 2-methylprop-2-enoate

• ChemBase ID: 137025
• Molecular Formular: C28H36O4
• Molecular Mass: 436.58304
• Monoisotopic Mass: 436.26135963
• SMILES: CC(=C)C(=O)OC1CC2CC1C1C2C=CC1.CC(=C)C(=O)OC1CC2CC1C1C2CC=C1
• Canonical SMILES: CC(=C)C(=O)OC1CC2CC1C1C2C=CC1.CC(=C)C(=O)OC1CC2CC1C1C2CC=C1
• InChI: InChI=1S/2C14H18O2/c2*1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3;3-4,9-13H,1,5-7H2,2H3
• InChIKey: AQNSVANSEBPSMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[5.2.1.0^2,^6]dec-3-en-8-yl 2-methylprop-2-enoate tricyclo[5.2.1.0^2,^6]dec-4-en-8-yl 2-methylprop-2-enoate
• IUPAC Traditional name: tricyclo[5.2.1.0^2,^6]dec-3-en-8-yl 2-methylprop-2-enoate tricyclo[5.2.1.0^2,^6]dec-4-en-8-yl 2-methylprop-2-enoate
• Synonyms: Dicyclopentenyl methacrylate; 二环戊烯甲基丙烯酸酯

Database IDs

• CAS Number: 31621-69-9
• PubChem SID: 162231291
• PubChem CID: 71310018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0436523
• LogD (pH = 7.4): 3.0436523
• Log P: 3.0436523
• Molar Refractivity: 63.0614 cm^3
• Polarizability: 24.609463 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Contains: 300 ppm hydroquinone as inhibitor; 650 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C28H36O4