4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

• ChemBase ID: 188516
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: O1C2C1CC1C2CC2OC2C1
• Canonical SMILES: O1C2C1CC1C(C2)C2OC2C1
• InChI: InChI=1S/C9H12O2/c1-4-2-8-9(11-8)5(4)3-7-6(1)10-7/h4-9H,1-3H2
• InChIKey: MGAKFFHPSIQGDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,9-dioxatetracyclo[5.4.0.0^3,^5.0^8,^1^0]undecane
• IUPAC Traditional name: 4,9-dioxatetracyclo[5.4.0.0^3,^5.0^8,^1^0]undecane

Database IDs

• PubChem SID: 164244426
• PubChem CID: 102898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.70040953
• LogD (pH = 7.4): 0.70040953
• Log P: 0.70040953
• Molar Refractivity: 38.4668 cm^3
• Polarizability: 15.794343 Å^3
• Polar Surface Area: 25.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds