1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene

C28H34 — CID 139787825

IUPAC1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
SMILESC=CCCCCc1ccc(C#Cc2ccc(CCC3CCCCC3)cc2)cc1
InChIInChI=1S/C28H34/c1-2-3-4-6-11-25-13-16-27(17-14-25)20-23-28-21-18-26(19-22-28)15-12-24-9-7-5-8-10-24/h2,13-14,16-19,21-22,24H,1,3-12,15H2
InChIKeyJJAWEEFIDNPGBJ-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.50
Rot. Bonds8

About 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene

1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene (PubChem CID 139787825) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
PubChem CID139787825
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
SMILESC=CCCCCc1ccc(C#Cc2ccc(CCC3CCCCC3)cc2)cc1
InChIInChI=1S/C28H34/c1-2-3-4-6-11-25-13-16-27(17-14-25)20-23-28-21-18-26(19-22-28)15-12-24-9-7-5-8-10-24/h2,13-14,16-19,21-22,24H,1,3-12,15H2
InChIKeyJJAWEEFIDNPGBJ-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-oct-7-enylphenyl)ethynyl]benzene
CID 139787889
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
4-[2-[4-(2-cyclopentylethyl)phenyl]ethynyl]-1,2-difluorobenzene
CID 67685961
1-ethoxy-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139767171
1-chloro-4-[2-(4-pent-4-enylphenyl)ethynyl]benzene
CID 139750869
1-[2-(4-but-3-enylcyclohexyl)ethyl]-4-[2-[4-(trifluoromethyl)cyclohexyl]ethynyl]benzene
CID 70209835
1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 139787945
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-prop-2-enylphenyl)ethynyl]benzene
CID 139787890
4-hex-5-enylbenzonitrile
CID 582246
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
hex-5-enylcyclopentane
CID 20565123
4-chloro-1-[2-[4-(2-cyclohexylethyl)phenyl]ethynyl]-2-fluorobenzene
CID 139807515

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene?
The IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene (CID 139787825) is 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene is C=CCCCCc1ccc(C#Cc2ccc(CCC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene?
The InChIKey is JJAWEEFIDNPGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-2-3-4-6-11-25-13-16-27(17-14-25)20-23-28-21-18-26(19-22-28)15-12-24-9-7-5-8-10-24/h2,13-14,16-19,21-22,24H,1,3-12,15H2.
What are the key properties of 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene?
1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene has a molecular weight of 370.58 g/mol, XLogP of 7.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene is sourced from PubChem (CID 139787825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).