1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene

C23H26 — CID 139743480

IUPAC1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
SMILESCC=CCCCc1ccc(C#Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C23H26/c1-3-5-6-7-9-21-12-16-23(17-13-21)19-18-22-14-10-20(8-4-2)11-15-22/h3,5,10-17H,4,6-9H2,1-2H3
InChIKeyRFVIHDGOJGANQO-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.94
Rot. Bonds6

About 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene

1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene (PubChem CID 139743480) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
PubChem CID139743480
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
SMILESCC=CCCCc1ccc(C#Cc2ccc(CCC)cc2)cc1
InChIInChI=1S/C23H26/c1-3-5-6-7-9-21-12-16-23(17-13-21)19-18-22-14-10-20(8-4-2)11-15-22/h3,5,10-17H,4,6-9H2,1-2H3
InChIKeyRFVIHDGOJGANQO-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.94
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-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-pentyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 19899704
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-but-3-enyl-4-[2-(4-hept-4-enylphenyl)ethynyl]benzene
CID 139754665
1-but-2-enoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 70371640
1-but-2-enoxy-4-[2-(4-heptylphenyl)ethynyl]benzene
CID 70371866
1-oct-2-enoxy-4-[2-(4-propylphenyl)ethynyl]benzene
CID 70371988
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
1-propyl-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 14573547
1-pentyl-4-(2-phenylethynyl)benzene
CID 59931513
1-pentyl-4-[6-(4-propylphenyl)hex-3-en-1,5-diynyl]benzene
CID 54147822
1-fluoro-4-[4-[2-(4-pent-3-enylphenyl)ethynyl]phenyl]benzene
CID 139754130

Frequently Asked Questions

What is the IUPAC name of 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene?
The IUPAC name of 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene (CID 139743480) is 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene.
What is the SMILES notation for 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene?
The canonical SMILES for 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene is CC=CCCCc1ccc(C#Cc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene?
The InChIKey is RFVIHDGOJGANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-3-5-6-7-9-21-12-16-23(17-13-21)19-18-22-14-10-20(8-4-2)11-15-22/h3,5,10-17H,4,6-9H2,1-2H3.
What are the key properties of 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene?
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene has a molecular weight of 302.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene is sourced from PubChem (CID 139743480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).