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

• ChemBase ID: 127606
• Molecular Formular: C17H28
• Molecular Mass: 232.40422
• Monoisotopic Mass: 232.2191009
• SMILES: C1C2[C@H](CCCC2)[C@H]2CC[C@H]3[C@H]([C@@H]2C1)CCC3
• Canonical SMILES: C1CC[C@H]2C(C1)CC[C@@H]1[C@@H]2CC[C@H]2[C@H]1CCC2
• InChI: InChI=1S/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2/t12?,13-,14-,15+,16+,17-/m0/s1
• InChIKey: UACIBCPNAKBWHX-CTBOZYAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,10S,11R,15S)-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane
• IUPAC Traditional name: gonane
• Synonyms: 18-Norestrane; Gonane

Database IDs

• CAS Number: 4732-76-7
• PubChem SID: 162221924
• PubChem CID: 1108; 6857523
• CHEBI ID: 35528
• Chemspider ID: 5256859
• KEGG ID: C19639
• Wikipedia Title: Gonane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2211924
• LogD (pH = 7.4): 5.2211924
• Log P: 5.2211924
• Molar Refractivity: 72.496 cm^3
• Polarizability: 29.169971 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false