2-(4-methylcyclohexyl)-6-pentylnaphthalene

C22H30 — CID 20500456

IUPAC2-(4-methylcyclohexyl)-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C3CCC(C)CC3)ccc2c1
InChIInChI=1S/C22H30/c1-3-4-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(2)8-11-19/h9,12-17,19H,3-8,10-11H2,1-2H3
InChIKeyCSMIQEYOPGDBMY-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.87
Rot. Bonds5

About 2-(4-methylcyclohexyl)-6-pentylnaphthalene

2-(4-methylcyclohexyl)-6-pentylnaphthalene (PubChem CID 20500456) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-6-pentylnaphthalene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-6-pentylnaphthalene
PubChem CID20500456
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-(4-methylcyclohexyl)-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C3CCC(C)CC3)ccc2c1
InChIInChI=1S/C22H30/c1-3-4-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(2)8-11-19/h9,12-17,19H,3-8,10-11H2,1-2H3
InChIKeyCSMIQEYOPGDBMY-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.87
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

2-butyl-6-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]naphthalene
CID 19912548
2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846844
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
2-heptyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]naphthalene
CID 19912316
2-octyl-6-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]naphthalene
CID 19912488
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
2,3-difluoro-6-[4-[2-(4-heptylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139847149

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-6-pentylnaphthalene?
The IUPAC name of 2-(4-methylcyclohexyl)-6-pentylnaphthalene (CID 20500456) is 2-(4-methylcyclohexyl)-6-pentylnaphthalene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-6-pentylnaphthalene?
The canonical SMILES for 2-(4-methylcyclohexyl)-6-pentylnaphthalene is CCCCCc1ccc2cc(C3CCC(C)CC3)ccc2c1.
What is the InChIKey of 2-(4-methylcyclohexyl)-6-pentylnaphthalene?
The InChIKey is CSMIQEYOPGDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-3-4-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(2)8-11-19/h9,12-17,19H,3-8,10-11H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-6-pentylnaphthalene?
2-(4-methylcyclohexyl)-6-pentylnaphthalene has a molecular weight of 294.48 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-6-pentylnaphthalene is sourced from PubChem (CID 20500456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).