tricyclo[1.1.0.02,4]butane

• ChemBase ID: 129789
• Molecular Formular: C4H4
• Molecular Mass: 52.07456
• Monoisotopic Mass: 52.03130013
• SMILES: C12C3C1C23
• Canonical SMILES: C12C3C1C23
• InChI: InChI=1S/C4H4/c1-2-3(1)4(1)2/h1-4H
• InChIKey: FJGIHZCEZAZPSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[1.1.0.0^2,^4]butane
• IUPAC Systematic name: Tricyclo[1.1.0.0^2,4]butane
• IUPAC Traditional name: tetrahedrane
• Synonyms: Tetrahedrane

Database IDs

• Beilstein Number: 2035811
• PubChem SID: 162224077
• PubChem CID: 9548696
• CHEBI ID: 36549
• Chemspider ID: 7827619
• Wikipedia Title: Tetrahedrane

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.22062458
• LogD (pH = 7.4): 0.22062458
• Log P: 0.22062458
• Molar Refractivity: 14.59 cm^3
• Polarizability: 5.910089 Å^3
• Polar Surface Area: 0.0 Å^2