1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene

C26H36 — CID 19985129

IUPAC1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
SMILESCCCc1ccc(C#CC2=CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H36/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h7-10,15,22,25-26H,3-6,13-14,16-20H2,1-2H3
InChIKeyHBMJSKNOOYUPQZ-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.32
Rot. Bonds5

About 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene

1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene (PubChem CID 19985129) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
PubChem CID19985129
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
SMILESCCCc1ccc(C#CC2=CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H36/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h7-10,15,22,25-26H,3-6,13-14,16-20H2,1-2H3
InChIKeyHBMJSKNOOYUPQZ-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.32
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-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 19984601
1-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]-4-(4-hexylphenyl)benzene;1-hexyl-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]phenyl]benzene
CID 159510660
1-butoxy-4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene;1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 70382598
1,3-difluoro-2-isothiocyanato-5-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 170936795
1-ethyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohex-3-en-1-yl]benzene
CID 19983948
1-[2-(4-butylcyclohexen-1-yl)ethynyl]-4-pentylbenzene
CID 19984034
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
1-[2-(4-hexylcyclohexen-1-yl)ethynyl]-4-(4-propylcyclohexyl)benzene
CID 19984087
4-(4-butylcyclohexyl)cyclohexene-1-carbonitrile
CID 86197713
4-ethyl-2-fluoro-1-[4-[2-(4-propylcyclohexen-1-yl)ethynyl]phenyl]benzene
CID 19985122
2-fluoro-1-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]-4-propylbenzene
CID 19983727

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene?
The IUPAC name of 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene (CID 19985129) is 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene is CCCc1ccc(C#CC2=CCC(C3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene?
The InChIKey is HBMJSKNOOYUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-3-5-21-7-9-23(10-8-21)11-12-24-15-19-26(20-16-24)25-17-13-22(6-4-2)14-18-25/h7-10,15,22,25-26H,3-6,13-14,16-20H2,1-2H3.
What are the key properties of 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene?
1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene has a molecular weight of 348.57 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene is sourced from PubChem (CID 19985129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).