1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene

C26H42 — CID 173398550

IUPAC1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccccc2C2CCC(CCC)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h7-8,11-12,21-24H,3-6,9-10,13-20H2,1-2H3
InChIKeyYUTXGJSOHRSAAB-UHFFFAOYSA-N
MW354.62 g/mol
LogP8.61
Rot. Bonds8

About 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene

1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene (PubChem CID 173398550) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
PubChem CID173398550
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccccc2C2CCC(CCC)CC2)CC1
InChIInChI=1S/C26H42/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h7-8,11-12,21-24H,3-6,9-10,13-20H2,1-2H3
InChIKeyYUTXGJSOHRSAAB-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.61
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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Related Compounds

1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
2-(4-pentylcyclohexyl)bicyclo[3.1.0]hexa-1,3,5-triene
CID 174774005
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
hexane;pentylcyclopropane
CID 159592467
(4-propylcyclohexyl)benzene
CID 155887669
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
2-(4-pentylcyclohexyl)benzoic acid;1-phenylethane-1,1-diol
CID 175156296
2,6-difluoro-3-[2-[2-(4-pentylcyclohexyl)phenyl]ethyl]pyridine
CID 67924020
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene (CID 173398550) is 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene is CCCCCC1CCC(c2ccccc2C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene?
The InChIKey is YUTXGJSOHRSAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h7-8,11-12,21-24H,3-6,9-10,13-20H2,1-2H3.
What are the key properties of 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene?
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene has a molecular weight of 354.62 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 173398550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).