spiro[2.2]penta-1,4-diene

• ChemBase ID: 129602
• Molecular Formular: C5H4
• Molecular Mass: 64.08526
• Monoisotopic Mass: 64.03130013
• SMILES: C1=CC21C=C2
• Canonical SMILES: C1=CC21C=C2
• InChI: InChI=1S/C5H4/c1-2-5(1)3-4-5/h1-4H
• InChIKey: JXGJFWLYGSVFBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: spiro[2.2]penta-1,4-diene
• IUPAC Traditional name: spiropentadiene
• Synonyms: Bowtiediene; Spiropenta-1,4-diene; Spiropentadiene

Database IDs

• CAS Number: 1727-65-7
• PubChem SID: 162223892
• PubChem CID: 14901520
• Wikipedia Title: Spiropentadiene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.733203
• LogD (pH = 7.4): 0.733203
• Log P: 0.733203
• Molar Refractivity: 23.2577 cm^3
• Polarizability: 8.030664 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true