14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase ID: 261947
• Molecular Formular: C19H28O2
• Molecular Mass: 288.42442
• Monoisotopic Mass: 288.20893014
• SMILES: C12(C(=CC(=O)CC2)CCC2C1CCC1(C2CCC1O)C)C
• Canonical SMILES: O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C
• InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3
• InChIKey: MUMGGOZAMZWBJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC Traditional name: sustanon
• Synonyms: 14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; sustanon

Database IDs

• CAS Number: 58-22-0
• MDL Number: MFCD00411527
• PubChem SID: 164317857
• PubChem CID: 5408

CALCULATED PROPERTIES

• Acid pKa: 19.08686
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3654232
• LogD (pH = 7.4): 3.3654232
• Log P: 3.3654232
• Molar Refractivity: 84.4298 cm^3
• Polarizability: 33.260063 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 3.219

Product Information

• Purity: 95%; 97%