deca-2,8-diyne

• ChemBase ID: 112832
• Molecular Formular: C10H14
• Molecular Mass: 134.21816
• Monoisotopic Mass: 134.10955045
• SMILES: CC#CCCCCC#CC
• Canonical SMILES: CC#CCCCCC#CC
• InChI: InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3
• InChIKey: KORPQWPYEOSKGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-2,8-diyne
• IUPAC Traditional name: deca-2,8-diyne
• Synonyms: 2,8-DECADIYNE

Database IDs

• CAS Number: 4116-93-2
• PubChem SID: 162097568
• PubChem CID: 20066

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.078826
• LogD (pH = 7.4): 4.078826
• Log P: 4.078826
• Molar Refractivity: 46.535 cm^3
• Polarizability: 16.995882 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05226052

MP Biomedicals Rare Chemical collection