2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene

C25H34 — CID 20500630

IUPAC2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
SMILESCCCCCCc1ccc2cc(C3=CCC(CCC)CC3)ccc2c1
InChIInChI=1S/C25H34/c1-3-5-6-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(8-4-2)11-14-22/h12-13,15-20H,3-11,14H2,1-2H3
InChIKeyHNGHZPLFLQGZIZ-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.95
Rot. Bonds8

About 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene

2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene (PubChem CID 20500630) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene.

Molecular Properties

Compound Name2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
PubChem CID20500630
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
SMILESCCCCCCc1ccc2cc(C3=CCC(CCC)CC3)ccc2c1
InChIInChI=1S/C25H34/c1-3-5-6-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(8-4-2)11-14-22/h12-13,15-20H,3-11,14H2,1-2H3
InChIKeyHNGHZPLFLQGZIZ-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.95
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-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
2-(4-methylcyclohexen-1-yl)-6-pentylnaphthalene
CID 20500624
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
1-(4-hexylcyclohexen-1-yl)-4-propylbenzene
CID 54541289
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene?
The IUPAC name of 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene (CID 20500630) is 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene.
What is the SMILES notation for 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene?
The canonical SMILES for 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene is CCCCCCc1ccc2cc(C3=CCC(CCC)CC3)ccc2c1.
What is the InChIKey of 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene?
The InChIKey is HNGHZPLFLQGZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-6-7-9-21-12-15-25-19-24(17-16-23(25)18-21)22-13-10-20(8-4-2)11-14-22/h12-13,15-20H,3-11,14H2,1-2H3.
What are the key properties of 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene?
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene has a molecular weight of 334.55 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene is sourced from PubChem (CID 20500630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).