1-chlorodec-4-yne

• ChemBase ID: 108406
• Molecular Formular: C10H17Cl
• Molecular Mass: 172.69498
• Monoisotopic Mass: 172.10187822
• SMILES: CCCCCC#CCCCCl
• Canonical SMILES: CCCCCC#CCCCCl
• InChI: InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3
• InChIKey: WQROTKWHQIGFTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorodec-4-yne
• IUPAC Traditional name: 1-chlorodec-4-yne
• Synonyms: 1-CHLORO-4-DECYNE

Database IDs

• CAS Number: 26817-65-2
• PubChem SID: 162094305
• PubChem CID: 141322

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4120326
• LogD (pH = 7.4): 4.4120326
• Log P: 4.4120326
• Molar Refractivity: 52.1533 cm^3
• Polarizability: 19.86573 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207250

MP Biomedicals Rare Chemical collection