1-(4-pentylcyclohexyl)-4-propylbenzene

C20H32 — CID 576134

IUPAC1-(4-pentylcyclohexyl)-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H32/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3
InChIKeyRXBBPIPXHBOXOU-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.49
Rot. Bonds7

About 1-(4-pentylcyclohexyl)-4-propylbenzene

1-(4-pentylcyclohexyl)-4-propylbenzene (PubChem CID 576134) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-4-propylbenzene
PubChem CID576134
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name1-(4-pentylcyclohexyl)-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C20H32/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3
InChIKeyRXBBPIPXHBOXOU-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-4-propylbenzene?
The IUPAC name of 1-(4-pentylcyclohexyl)-4-propylbenzene (CID 576134) is 1-(4-pentylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 1-(4-pentylcyclohexyl)-4-propylbenzene is CCCCCC1CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-4-propylbenzene?
The InChIKey is RXBBPIPXHBOXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 1-(4-pentylcyclohexyl)-4-propylbenzene?
1-(4-pentylcyclohexyl)-4-propylbenzene has a molecular weight of 272.48 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 576134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).