tricyclo[4.4.0.03,8]decane

• ChemBase ID: 130066
• Molecular Formular: C10H16
• Molecular Mass: 136.23404
• Monoisotopic Mass: 136.12520051
• SMILES: C1CC2CC3CCC2CC13
• Canonical SMILES: C1CC2CC3C1CC2CC3
• InChI: InChI=1S/C10H16/c1-2-8-6-9-3-4-10(8)5-7(1)9/h7-10H,1-6H2
• InChIKey: AEVSQVUUXPSWPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[4.4.0.0^3,^8]decane
• IUPAC Traditional name: twistane
• Synonyms: Twistane

Database IDs

• CAS Number: 253-14-5
• PubChem SID: 162224351
• PubChem CID: 5460768
• Wikipedia Title: Twistane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8880365
• LogD (pH = 7.4): 2.8880365
• Log P: 2.8880365
• Molar Refractivity: 42.196 cm^3
• Polarizability: 16.98449 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-164.8°C

Safety Information

• Safety Statements: R