1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene

C25H37Cl — CID 54039737

IUPAC1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC=CC1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C25H37Cl/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h4-5,16-23H,2-3,6-15H2,1H3
InChIKeyLLMKYZKYQHRSJW-UHFFFAOYSA-N
MW373.02 g/mol
LogP8.56
Rot. Bonds7

About 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene

1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 54039737) has the molecular formula C25H37Cl and a molecular weight of 373.02 g/mol. Its IUPAC name is 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID54039737
Molecular FormulaC25H37Cl
Molecular Weight373.02 g/mol
Exact Mass372.26
IUPAC Name1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC=CC1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C25H37Cl/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h4-5,16-23H,2-3,6-15H2,1H3
InChIKeyLLMKYZKYQHRSJW-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.02
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
CID 19097942
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1-chloro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67787226
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene (CID 54039737) is 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene is CCCC=CC1CCC(CCC2CCC(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is LLMKYZKYQHRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37Cl/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h4-5,16-23H,2-3,6-15H2,1H3.
What are the key properties of 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene?
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 373.02 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 54039737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).