(1aS,4R,4aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol

• ChemBase ID: 207001
• Molecular Formular: C15H26O
• Molecular Mass: 222.36634
• Monoisotopic Mass: 222.19836545
• SMILES: [C@H]12C([C@H]1CC[C@]([C@H]1[C@H]2[C@@H](CC1)C)(O)C)(C)C
• Canonical SMILES: C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](C1(C)C)CC[C@@]2(C)O
• InChI: InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12-,13+,15-/m1/s1
• InChIKey: AYXPYQRXGNDJFU-GPVWGEJLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1aS,4R,4aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-4-ol
• IUPAC Traditional name: (1aS,4R,4aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-octahydro-1aH-cyclopropa[e]azulen-4-ol

Database IDs

• PubChem SID: 164262911
• PubChem CID: 11876160

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.178502
• LogD (pH = 7.4): 3.1785023
• Log P: 3.1785023
• Molar Refractivity: 66.6 cm^3
• Polarizability: 26.800741 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds