2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene

C22H28 — CID 20500624

IUPAC2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C3=CCC(C)CC3)ccc2c1
InChIInChI=1S/C22H28/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/h9-10,12-17H,3-8,11H2,1-2H3
InChIKeyFNHYKUUSLSUYTM-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.78
Rot. Bonds5

About 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene

2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene (PubChem CID 20500624) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene.

Molecular Properties

Compound Name2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
PubChem CID20500624
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C3=CCC(C)CC3)ccc2c1
InChIInChI=1S/C22H28/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/h9-10,12-17H,3-8,11H2,1-2H3
InChIKeyFNHYKUUSLSUYTM-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.78
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-octyl-6-(4-pentylcyclohexen-1-yl)naphthalene
CID 20500432
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630
2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500667
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
2-methyl-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500094
(4-hexylphenyl) 4-[(4R)-4-methylcyclohexen-1-yl]benzoate
CID 7033411
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene?
The IUPAC name of 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene (CID 20500624) is 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene.
What is the SMILES notation for 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene?
The canonical SMILES for 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene is CCCCCc1ccc2cc(C3=CCC(C)CC3)ccc2c1.
What is the InChIKey of 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene?
The InChIKey is FNHYKUUSLSUYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/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/h9-10,12-17H,3-8,11H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene?
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene is sourced from PubChem (CID 20500624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).