1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane

C24H36 — CID 19424873

IUPAC1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
SMILESCCCC1CCC(C#C/C=C/C#CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C24H36/c1-3-9-21-13-17-23(18-14-21)11-7-5-6-8-12-24-19-15-22(10-4-2)16-20-24/h5-6,21-24H,3-4,9-10,13-20H2,1-2H3/b6-5+
InChIKeyQCOYKWUZEOZBQN-AATRIKPKSA-N
MW324.55 g/mol
LogP6.76
Rot. Bonds4

About 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane

1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane (PubChem CID 19424873) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
PubChem CID19424873
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
SMILESCCCC1CCC(C#C/C=C/C#CC2CCC(CCC)CC2)CC1
InChIInChI=1S/C24H36/c1-3-9-21-13-17-23(18-14-21)11-7-5-6-8-12-24-19-15-22(10-4-2)16-20-24/h5-6,21-24H,3-4,9-10,13-20H2,1-2H3/b6-5+
InChIKeyQCOYKWUZEOZBQN-AATRIKPKSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.76
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-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566
1-butyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane
CID 19424985
1-ethoxy-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19425017
1-heptyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 19985111
1-butyl-4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 54292097
ethane;propane;propylcyclopropane
CID 145406182
1-ethoxy-4-[[4-[4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]methoxy]benzene
CID 54568088
1-pentyl-4-[(E)-6-(4-pentylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19424858
1,4-dipropylcyclohexane;pentane
CID 90867354
1-pentyl-4-[4-[4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]benzene
CID 54053960
1-[(E)-6-(4-butylcyclohexyl)hex-3-en-1,5-diynyl]-4-hexylbenzene
CID 19424947
1-(difluoromethyl)-4-[4-(4-pentylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 54354889

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane?
The IUPAC name of 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane (CID 19424873) is 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane is CCCC1CCC(C#C/C=C/C#CC2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane?
The InChIKey is QCOYKWUZEOZBQN-AATRIKPKSA-N. The full InChI is InChI=1S/C24H36/c1-3-9-21-13-17-23(18-14-21)11-7-5-6-8-12-24-19-15-22(10-4-2)16-20-24/h5-6,21-24H,3-4,9-10,13-20H2,1-2H3/b6-5+.
What are the key properties of 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane?
1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane has a molecular weight of 324.55 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane is sourced from PubChem (CID 19424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).