(1S,2S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane

• ChemBase ID: 125858
• Molecular Formular: C19H32
• Molecular Mass: 260.45738
• Monoisotopic Mass: 260.25040102
• SMILES: C1C2CCCC[C@@]2([C@H]2CC[C@]3([C@H]([C@@H]2C1)CCC3)C)C
• Canonical SMILES: C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C
• InChI: InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
• InChIKey: QZLYKIGBANMMBK-FZFXZXLVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane
• IUPAC Traditional name: androstane
• Synonyms: Etioallocholane; Androstane

Database IDs

• CAS Number: 24887-75-0
• PubChem SID: 162220203
• PubChem CID: 6857536; 94144
• CHEBI ID: 35509
• Chemspider ID: 5256872
• Wikipedia Title: Androstane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.821286
• LogD (pH = 7.4): 5.821286
• Log P: 5.821286
• Molar Refractivity: 81.4462 cm^3
• Polarizability: 32.863396 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false