1-hexadecan-6-ylnaphthalene

C26H40 — CID 14029925

IUPAC1-hexadecan-6-ylnaphthalene
SMILESCCCCCCCCCCC(CCCCC)c1cccc2ccccc12
InChIInChI=1S/C26H40/c1-3-5-7-8-9-10-11-13-18-23(17-12-6-4-2)26-22-16-20-24-19-14-15-21-25(24)26/h14-16,19-23H,3-13,17-18H2,1-2H3
InChIKeyUIIUMNPOGJIFNG-UHFFFAOYSA-N
MW352.61 g/mol
LogP9.03
Rot. Bonds14

About 1-hexadecan-6-ylnaphthalene

1-hexadecan-6-ylnaphthalene (PubChem CID 14029925) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-hexadecan-6-ylnaphthalene.

Molecular Properties

Compound Name1-hexadecan-6-ylnaphthalene
PubChem CID14029925
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name1-hexadecan-6-ylnaphthalene
SMILESCCCCCCCCCCC(CCCCC)c1cccc2ccccc12
InChIInChI=1S/C26H40/c1-3-5-7-8-9-10-11-13-18-23(17-12-6-4-2)26-22-16-20-24-19-14-15-21-25(24)26/h14-16,19-23H,3-13,17-18H2,1-2H3
InChIKeyUIIUMNPOGJIFNG-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 59.03
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-tetracosan-9-ylnaphthalene
CID 175897855
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
1-tridecan-7-ylanthracene
CID 150514951
3-naphthalen-1-ylheptan-1-amine
CID 142028314
2-naphthalen-1-ylhexan-1-ol
CID 57029231
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-dodec-9-en-5-ylnaphthalene
CID 173291784
1-heptadecan-9-yl-9H-carbazole
CID 132513625
1-[(3S)-non-1-en-3-yl]naphthalene
CID 102346574
2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
CID 175558320

Frequently Asked Questions

What is the IUPAC name of 1-hexadecan-6-ylnaphthalene?
The IUPAC name of 1-hexadecan-6-ylnaphthalene (CID 14029925) is 1-hexadecan-6-ylnaphthalene.
What is the SMILES notation for 1-hexadecan-6-ylnaphthalene?
The canonical SMILES for 1-hexadecan-6-ylnaphthalene is CCCCCCCCCCC(CCCCC)c1cccc2ccccc12.
What is the InChIKey of 1-hexadecan-6-ylnaphthalene?
The InChIKey is UIIUMNPOGJIFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-3-5-7-8-9-10-11-13-18-23(17-12-6-4-2)26-22-16-20-24-19-14-15-21-25(24)26/h14-16,19-23H,3-13,17-18H2,1-2H3.
What are the key properties of 1-hexadecan-6-ylnaphthalene?
1-hexadecan-6-ylnaphthalene has a molecular weight of 352.61 g/mol, XLogP of 9.03, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecan-6-ylnaphthalene is sourced from PubChem (CID 14029925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).