1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene

C28H36 — CID 139708634

IUPAC1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
SMILESCCCc1ccc(C#Cc2ccc(CC(C)C3CCC(CC)CC3)cc2)cc1
InChIInChI=1S/C28H36/c1-4-6-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)21-22(3)28-19-17-23(5-2)18-20-28/h7-10,13-16,22-23,28H,4-6,17-21H2,1-3H3
InChIKeyUFXNGFGAVASDCC-UHFFFAOYSA-N
MW372.60 g/mol
LogP7.43
Rot. Bonds6

About 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene

1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene (PubChem CID 139708634) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
PubChem CID139708634
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
SMILESCCCc1ccc(C#Cc2ccc(CC(C)C3CCC(CC)CC3)cc2)cc1
InChIInChI=1S/C28H36/c1-4-6-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)21-22(3)28-19-17-23(5-2)18-20-28/h7-10,13-16,22-23,28H,4-6,17-21H2,1-3H3
InChIKeyUFXNGFGAVASDCC-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-butylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139708871
1-ethyl-4-[2-[4-[2-(4-ethylcyclohexyl)propyl]phenyl]ethynyl]benzene
CID 139708718
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 139708986
1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139711194
(4-ethylcyclohexyl)-(4-propylphenyl)methanol
CID 65393723
2-fluoro-1-[2-(4-fluorophenyl)ethynyl]-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139708613
1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene
CID 19424964
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
1-(4-ethylcyclohexyl)-4-[2-(4-propylphenyl)ethynyl]bicyclo[2.2.2]octane
CID 19984650
5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 139708902
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene (CID 139708634) is 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene is CCCc1ccc(C#Cc2ccc(CC(C)C3CCC(CC)CC3)cc2)cc1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene?
The InChIKey is UFXNGFGAVASDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36/c1-4-6-24-7-9-25(10-8-24)11-12-26-13-15-27(16-14-26)21-22(3)28-19-17-23(5-2)18-20-28/h7-10,13-16,22-23,28H,4-6,17-21H2,1-3H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene?
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene has a molecular weight of 372.60 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene is sourced from PubChem (CID 139708634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).