5-ethynyl-2,3-dihydro-1H-indene

• ChemBase ID: 238280
• Molecular Formular: C11H10
• Molecular Mass: 142.1971
• Monoisotopic Mass: 142.07825032
• SMILES: C(#C)c1cc2c(cc1)CCC2
• Canonical SMILES: C#Cc1ccc2c(c1)CCC2
• InChI: InChI=1S/C11H10/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,6-8H,3-5H2
• InChIKey: MQVASHYUPQHESX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethynyl-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-ethynyl-2,3-dihydro-1H-indene
• Synonyms: 5-ethynyl-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD17281926
• PubChem SID: 164294190
• PubChem CID: 15084143

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1317666
• LogD (pH = 7.4): 3.1317666
• Log P: 3.1317666
• Molar Refractivity: 44.1115 cm^3
• Polarizability: 17.593828 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.425

Product Information

• Purity: 95%