6-{8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene

• ChemBase ID: 181275
• Molecular Formular: C25H32O2
• Molecular Mass: 364.52038
• Monoisotopic Mass: 364.24023026
• SMILES: c12c(c3c(o1)CCCC3)CCCC2CC1c2c(c3c(o2)CCCC3)CCC1
• Canonical SMILES: C1CCc2c(C1)c1CCCC(c1o2)CC1CCCc2c1oc1c2CCCC1
• InChI: InChI=1S/C25H32O2/c1-3-13-22-18(9-1)20-11-5-7-16(24(20)26-22)15-17-8-6-12-21-19-10-2-4-14-23(19)27-25(17)21/h16-17H,1-15H2
• InChIKey: WORTVCJWMABZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-diene
• IUPAC Traditional name: 6-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-diene

Database IDs

• PubChem SID: 164237185
• PubChem CID: 3758793

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9140253
• LogD (pH = 7.4): 6.9140253
• Log P: 6.9140253
• Molar Refractivity: 109.7376 cm^3
• Polarizability: 41.417377 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds