1-[2-(4-ethylphenyl)ethynyl]-4-[(1s,4r)-4-propylcyclohexyl]benzene

1-[2-(4-ethylphenyl)ethynyl]-4-[(1s,4r)-4-propylcyclohexyl]benzene

CAS: 107949-21-3

Formula: C25H30

SMILES: CCC[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C#CC1=CC=C(CC)C=C1

IUPAC: 1-[2-(4-ethylphenyl)ethynyl]-4-[(1s,4r)-4-propylcyclohexyl]benzene

InChI: InChI=1/C25H30/c1-3-5-21-12-16-24(17-13-21)25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22/h6-9,14-15,18-19,21,24H,3-5,12-13,16-17H2,1-2H3/t21-,24-

Composition: C (90.85%), H (9.15%)

Molar Mass: 330.515

Atom Count: 55

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	330.234750966
Formal Charge	0
FSP3	0.44
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	VWBHMDVHVYVIAR-SAIGFBBZNA-N
Lipinski's Rule of Five
Molar Refractivity	103.48
Topological Polar Surface Area	0
Polarizability	42
Ring Count	3
Rotatable Bond Count	6

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