(1aR,1bS,2S,4aR,5R,7aR)-1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulene-2,5-diol

• ChemBase ID: 305416
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: [C@@H]12[C@H]([C@H]3[C@@H](CC[C@@]1(C)O)C3(C)C)[C@@](CC2)(C)O
• Canonical SMILES: C[C@]1(O)CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)O
• InChI: InChI=1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m1/s1
• InChIKey: DWNPMJOWAWGIMM-HTKHVQBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1aR,1bS,2S,4aR,5R,7aR)-1,1,2,5-tetramethyl-decahydro-1H-cyclopropa[e]azulene-2,5-diol
• IUPAC Traditional name: (1aR,1bS,2S,4aR,5R,7aR)-1,1,2,5-tetramethyl-octahydrocyclopropa[e]azulene-2,5-diol
• Synonyms: 4,10-Aromadendranediol

Database IDs

• CAS Number: 70051-38-6

CALCULATED PROPERTIES

• Acid pKa: 14.469919
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8632952
• LogD (pH = 7.4): 1.8632952
• Log P: 1.8632952
• Molar Refractivity: 68.2821 cm^3
• Polarizability: 27.407438 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder