tricyclo[4.3.1.13,8]undecan-3-ol

• ChemBase ID: 795726
• Molecular Formular: C11H18O
• Molecular Mass: 166.26002
• Monoisotopic Mass: 166.1357652
• SMILES: C12CC3CCC(C1)(CC(C3)C2)O
• Canonical SMILES: OC12CCC3CC(C1)CC(C2)C3
• InChI: InChI=1S/C11H18O/c12-11-2-1-8-3-9(6-11)5-10(4-8)7-11/h8-10,12H,1-7H2
• InChIKey: UYAPHBILAQZRSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[4.3.1.1^3,^8]undecan-3-ol
• IUPAC Traditional name: tricyclo[4.3.1.1^3,^8]undecan-3-ol
• Synonyms: Tricyclo[4.3.1.13,8]undecan-3-ol

Database IDs

• CAS Number: 14504-80-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0173976
• LogD (pH = 7.4): 2.017398
• Log P: 2.017398
• Molar Refractivity: 48.4791 cm^3
• Polarizability: 19.423065 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%