1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene

C28H34 — CID 22922851

IUPAC1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene
SMILESCCC/C=C/c1ccc(C#Cc2ccccc2C2CCC(CCC)CC2)cc1
InChIInChI=1S/C28H34/c1-3-5-6-10-24-13-15-25(16-14-24)19-20-26-11-7-8-12-28(26)27-21-17-23(9-4-2)18-22-27/h6-8,10-16,23,27H,3-5,9,17-18,21-22H2,1-2H3/b10-6+
InChIKeyRXZZIGQUKSVMEE-UXBLZVDNSA-N
MW370.58 g/mol
LogP7.97
Rot. Bonds6

About 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene

1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene (PubChem CID 22922851) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene
PubChem CID22922851
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene
SMILESCCC/C=C/c1ccc(C#Cc2ccccc2C2CCC(CCC)CC2)cc1
InChIInChI=1S/C28H34/c1-3-5-6-10-24-13-15-25(16-14-24)19-20-26-11-7-8-12-28(26)27-21-17-23(9-4-2)18-22-27/h6-8,10-16,23,27H,3-5,9,17-18,21-22H2,1-2H3/b10-6+
InChIKeyRXZZIGQUKSVMEE-UXBLZVDNSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.97
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-(4-pent-3-ynylcyclohexyl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 139747889
1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-pent-1-enyl]phenyl]ethynyl]benzene
CID 139788019
1-[(E)-but-1-enyl]-4-[2-(4-propylcyclohexyl)ethynyl]benzene
CID 139750856
1-(3-methyl-4-phenylbut-1-ynyl)-2-(4-propylcyclohexyl)benzene
CID 142640420
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
1-pent-1-enyl-4-[2-(4-pent-1-ynylphenyl)ethynyl]benzene
CID 54400583
1-[(E)-but-1-enyl]-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787862
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
(4-propylcyclohexyl)benzene
CID 155887669
2-(4-ethylcyclohexyl)benzonitrile
CID 56626260

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene?
The IUPAC name of 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene (CID 22922851) is 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene?
The canonical SMILES for 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene is CCC/C=C/c1ccc(C#Cc2ccccc2C2CCC(CCC)CC2)cc1.
What is the InChIKey of 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene?
The InChIKey is RXZZIGQUKSVMEE-UXBLZVDNSA-N. The full InChI is InChI=1S/C28H34/c1-3-5-6-10-24-13-15-25(16-14-24)19-20-26-11-7-8-12-28(26)27-21-17-23(9-4-2)18-22-27/h6-8,10-16,23,27H,3-5,9,17-18,21-22H2,1-2H3/b10-6+.
What are the key properties of 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene?
1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene has a molecular weight of 370.58 g/mol, XLogP of 7.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]-4-[2-[2-(4-propylcyclohexyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 22922851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).