(1R,5E,7S)-4,10-dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol

• ChemBase ID: 305240
• Molecular Formular: C15H24O
• Molecular Mass: 220.35046
• Monoisotopic Mass: 220.18271539
• SMILES: C1CC(=C)C=C[C@@H](CCC(=C)[C@@H]1O)C(C)C
• Canonical SMILES: C=C1C=C[C@@H](CCC(=C)[C@@H](CC1)O)C(C)C
• InChI: InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5+/t14-,15+/m0/s1
• InChIKey: OSSWBZXPRYZGRO-YKHJJTLOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5E,7S)-4,10-dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol
• IUPAC Traditional name: (1R,5E,7S)-7-isopropyl-4,10-dimethylidenecyclodec-5-en-1-ol
• Synonyms: 4(15),5,10(14)-Germacratrien-1-ol

Database IDs

• CAS Number: 81968-62-9

CALCULATED PROPERTIES

• Acid pKa: 18.426186
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7503073
• LogD (pH = 7.4): 3.7503073
• Log P: 3.7503073
• Molar Refractivity: 70.9925 cm^3
• Polarizability: 27.57377 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil