(2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-ol

• ChemBase ID: 187069
• Molecular Formular: C19H32N2O
• Molecular Mass: 304.47018
• Monoisotopic Mass: 304.25146365
• SMILES: [C@]12(C3C(C4[C@@](/C(=N\N)/CC4)(CC3)C)CC[C@H]1CC(CC2)O)C
• Canonical SMILES: N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O
• InChI: InChI=1S/C19H32N2O/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(21-20)19(15,2)10-8-16(14)18/h12-16,22H,3-11,20H2,1-2H3/b21-17-/t12-,13?,14?,15?,16?,18-,19-/m0/s1
• InChIKey: JMBJWQVSQZGGFA-NNKGNNAESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol
• IUPAC Traditional name: (2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol

Database IDs

• PubChem SID: 164242979
• PubChem CID: 16396729

CALCULATED PROPERTIES

• Acid pKa: 18.296396
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4618278
• LogD (pH = 7.4): 3.483191
• Log P: 3.4834704
• Molar Refractivity: 90.3501 cm^3
• Polarizability: 35.58561 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds