4-pentyl-1-(4-propylcyclohexyl)cyclohexene

C20H36 — CID 557007

IUPAC4-pentyl-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCCCC1CC=C(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h15,17-19H,3-14,16H2,1-2H3
InChIKeyWHKAMDSYJQSDFE-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.90
Rot. Bonds7

About 4-pentyl-1-(4-propylcyclohexyl)cyclohexene

4-pentyl-1-(4-propylcyclohexyl)cyclohexene (PubChem CID 557007) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4-pentyl-1-(4-propylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name4-pentyl-1-(4-propylcyclohexyl)cyclohexene
PubChem CID557007
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4-pentyl-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCCCC1CC=C(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h15,17-19H,3-14,16H2,1-2H3
InChIKeyWHKAMDSYJQSDFE-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.90
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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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1-(4-propylcyclohexyl)cyclohexene?
The IUPAC name of 4-pentyl-1-(4-propylcyclohexyl)cyclohexene (CID 557007) is 4-pentyl-1-(4-propylcyclohexyl)cyclohexene.
What is the SMILES notation for 4-pentyl-1-(4-propylcyclohexyl)cyclohexene?
The canonical SMILES for 4-pentyl-1-(4-propylcyclohexyl)cyclohexene is CCCCCC1CC=C(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 4-pentyl-1-(4-propylcyclohexyl)cyclohexene?
The InChIKey is WHKAMDSYJQSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h15,17-19H,3-14,16H2,1-2H3.
What are the key properties of 4-pentyl-1-(4-propylcyclohexyl)cyclohexene?
4-pentyl-1-(4-propylcyclohexyl)cyclohexene has a molecular weight of 276.51 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1-(4-propylcyclohexyl)cyclohexene is sourced from PubChem (CID 557007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).