1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene

C23H28 — CID 19424964

IUPAC1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene
SMILESCCCc1ccc(C#C/C=C/C#CC2CCC(CC)CC2)cc1
InChIInChI=1S/C23H28/c1-3-9-21-16-18-23(19-17-21)11-8-6-5-7-10-22-14-12-20(4-2)13-15-22/h5-6,16-20,22H,3-4,9,12-15H2,1-2H3/b6-5+
InChIKeyLMXOXCIFCKCFJL-AATRIKPKSA-N
MW304.48 g/mol
LogP5.77
Rot. Bonds3

About 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene

1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene (PubChem CID 19424964) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene
PubChem CID19424964
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene
SMILESCCCc1ccc(C#C/C=C/C#CC2CCC(CC)CC2)cc1
InChIInChI=1S/C23H28/c1-3-9-21-16-18-23(19-17-21)11-8-6-5-7-10-22-14-12-20(4-2)13-15-22/h5-6,16-20,22H,3-4,9,12-15H2,1-2H3/b6-5+
InChIKeyLMXOXCIFCKCFJL-AATRIKPKSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.77
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-pentyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19424858
1-[(E)-6-(4-butylcyclohexyl)hex-3-en-1,5-diynyl]-4-hexylbenzene
CID 19424947
1-ethoxy-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19425017
1-pentyl-4-[6-(4-propylphenyl)hex-3-en-1,5-diynyl]benzene
CID 54147822
1-[(E)-4-(4-prop-2-enylcyclohexyl)but-3-en-1-ynyl]-4-propylbenzene
CID 18657288
1-[(E)-4-[4-[(E)-but-1-enyl]cyclohexyl]but-3-en-1-ynyl]-4-propylbenzene
CID 154421723
1-ethoxy-4-[6-(4-hexylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 54285744
1-heptoxy-4-[(E)-6-(4-hexylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19424848
1-[[4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]methoxy]-4-pentylbenzene
CID 54065098
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139708634
1-heptyl-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19425004
1-butyl-4-[4-[(E)-4-(4-propylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657294

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene?
The IUPAC name of 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene (CID 19424964) is 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene.
What is the SMILES notation for 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene?
The canonical SMILES for 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene is CCCc1ccc(C#C/C=C/C#CC2CCC(CC)CC2)cc1.
What is the InChIKey of 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene?
The InChIKey is LMXOXCIFCKCFJL-AATRIKPKSA-N. The full InChI is InChI=1S/C23H28/c1-3-9-21-16-18-23(19-17-21)11-8-6-5-7-10-22-14-12-20(4-2)13-15-22/h5-6,16-20,22H,3-4,9,12-15H2,1-2H3/b6-5+.
What are the key properties of 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene?
1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene has a molecular weight of 304.48 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-(4-ethylcyclohexyl)hex-3-en-1,5-diynyl]-4-propylbenzene is sourced from PubChem (CID 19424964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).