(2S,14S,15S)-14-[(ethylselanyl)methyl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ol

• ChemBase ID: 184252
• Molecular Formular: C22H38OSe
• Molecular Mass: 397.49652
• Monoisotopic Mass: 398.20878684
• SMILES: [C@@]12(C(C3C([C@@]4(C(CC3)CCCC4)C)CC2)CC[C@@]1(O)C[Se]CC)C
• Canonical SMILES: CC[Se]C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)CCCC2
• InChI: InChI=1S/C22H38OSe/c1-4-24-15-22(23)14-11-19-17-9-8-16-7-5-6-12-20(16,2)18(17)10-13-21(19,22)3/h16-19,23H,4-15H2,1-3H3/t16?,17?,18?,19?,20-,21-,22+/m0/s1
• InChIKey: JRKNCYKQQYOPHN-WZIGSZMUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,14S,15S)-14-[(ethylselanyl)methyl]-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol
• IUPAC Traditional name: (2S,14S,15S)-14-[(ethylselanyl)methyl]-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol

Database IDs

• PubChem SID: 164240162
• PubChem CID: 16395928

CALCULATED PROPERTIES

• Acid pKa: 13.599675
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6574
• LogD (pH = 7.4): 4.6573997
• Log P: 4.6574
• Molar Refractivity: 110.0964 cm^3
• Polarizability: 38.467087 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds