1-Ethyl-4-[2-(4-pentylphenyl)ethynyl]benzene

HCID 613100

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Basic information

CAS: 107949-20-2
Standard SMILES: CCCCCc1ccc(C#Cc2ccc(CC)cc2)cc1
InChIKey: CFUOQVKZYPHWAN-UHFFFAOYSA-N
Molecular formula: C21H24
Average molar mass: 276.4 g/mol
Monoisotopic mass: 276.18780077

Names & identifiers

Preferred name: 1-Ethyl-4-[2-(4-pentylphenyl)ethynyl]benzene
IUPAC: 1-ethyl-4-[2-(4-pentylphenyl)ethynyl]benzene

Names & synonyms

2P5Pa1-ethyl-4-[2-(4-pentylphenyl)ethynyl]benzeneSCHEMBL8436035DTXSID8013821521-ethyl-4-((4-pentylphenyl)ethynyl)benzene1-Ethyl-4-[(4-pentylphenyl)ethynyl]benzene #Benzene, 1-ethyl-4-[(4-pentylphenyl)ethynyl]-107949-20-2

Database identifiers

CAS: 107949-20-2
PubChem CID: 613100
DTXSID: DTXSID801382152

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 326

Experimental & physicochemical properties

Chemical ClassesLiquid Crystal (LCM) Monomers

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