6-ethenyl-1H,2H,3H,4H,4aH,6H,7H,8H,9H,10H,10bH-cyclohexa[c]chromene

• ChemBase ID: 184255
• Molecular Formular: C15H22O
• Molecular Mass: 218.33458
• Monoisotopic Mass: 218.16706532
• SMILES: C12=C(C(OC3C1CCCC3)C=C)CCCC2
• Canonical SMILES: C=CC1OC2CCCCC2C2=C1CCCC2
• InChI: InChI=1S/C15H22O/c1-2-14-12-8-4-3-7-11(12)13-9-5-6-10-15(13)16-14/h2,13-15H,1,3-10H2
• InChIKey: HRELBTTXSJQRTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethenyl-1H,2H,3H,4H,4aH,6H,7H,8H,9H,10H,10bH-cyclohexa[c]chromene
• IUPAC Traditional name: 6-ethenyl-1H,2H,3H,4H,4aH,6H,7H,8H,9H,10H,10bH-cyclohexa[c]chromene

Database IDs

• PubChem SID: 164240165
• PubChem CID: 3728760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7569652
• LogD (pH = 7.4): 3.7569652
• Log P: 3.7569652
• Molar Refractivity: 67.127 cm^3
• Polarizability: 26.402824 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds