1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene

C20H30 — CID 123902166

IUPAC1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCc1ccc(C2C=CC(CCC)CC2)cc1
InChIInChI=1S/C20H30/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9,11-13,15-17,19H,3-8,10,14H2,1-2H3
InChIKeyBUYHHGYZULWQHW-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.27
Rot. Bonds7

About 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene

1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene (PubChem CID 123902166) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
PubChem CID123902166
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCc1ccc(C2C=CC(CCC)CC2)cc1
InChIInChI=1S/C20H30/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9,11-13,15-17,19H,3-8,10,14H2,1-2H3
InChIKeyBUYHHGYZULWQHW-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123564323
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 140619180
1-pentyl-4-[4-[(E)-4-[4-(4-propylcyclohexyl)phenyl]but-1-enyl]cyclohex-2-en-1-yl]benzene
CID 140619241
1-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]butyl]-4-(4-propylcyclohexyl)benzene
CID 123794995
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-butyl-4-[4-[(E)-2-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 140619215
1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
CID 123889648

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene (CID 123902166) is 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene is CCCCCc1ccc(C2C=CC(CCC)CC2)cc1.
What is the InChIKey of 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene?
The InChIKey is BUYHHGYZULWQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9,11-13,15-17,19H,3-8,10,14H2,1-2H3.
What are the key properties of 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene?
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene has a molecular weight of 270.46 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 123902166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).