1,2,3,4,4a,7,8,9,10,10b-decahydrospiro[cyclohexa[c]chromene-6,1'-cyclopentane]

• ChemBase ID: 181863
• Molecular Formular: C17H26O
• Molecular Mass: 246.38774
• Monoisotopic Mass: 246.19836545
• SMILES: C12=C(C3(OC4C1CCCC4)CCCC3)CCCC2
• Canonical SMILES: C1CCC2C(C1)OC1(C3=C2CCCC3)CCCC1
• InChI: InChI=1S/C17H26O/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-17(15)11-5-6-12-17/h14,16H,1-12H2
• InChIKey: NZRPFHBVXDZMGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,4a,7,8,9,10,10b-decahydrospiro[cyclohexa[c]chromene-6,1'-cyclopentane]
• IUPAC Traditional name: 1,2,3,4,4a,7,8,9,10,10b-decahydrospiro[cyclohexa[c]chromene-6,1'-cyclopentane]

Database IDs

• PubChem SID: 164237773
• PubChem CID: 5105915

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.244419
• LogD (pH = 7.4): 4.244419
• Log P: 4.244419
• Molar Refractivity: 74.5969 cm^3
• Polarizability: 29.592894 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds