1-octacosan-4-ylnaphthalene

C38H64 — CID 54149804

IUPAC1-octacosan-4-ylnaphthalene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(CCC)c1cccc2ccccc12
InChIInChI=1S/C38H64/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-35(29-4-2)38-34-28-32-36-31-26-27-33-37(36)38/h26-28,31-35H,3-25,29-30H2,1-2H3
InChIKeyOGYKBMPVHPBHIR-UHFFFAOYSA-N
MW520.93 g/mol
LogP13.72
Rot. Bonds26

About 1-octacosan-4-ylnaphthalene

1-octacosan-4-ylnaphthalene (PubChem CID 54149804) has the molecular formula C38H64 and a molecular weight of 520.93 g/mol. Its IUPAC name is 1-octacosan-4-ylnaphthalene.

Molecular Properties

Compound Name1-octacosan-4-ylnaphthalene
PubChem CID54149804
Molecular FormulaC38H64
Molecular Weight520.93 g/mol
Exact Mass520.50
IUPAC Name1-octacosan-4-ylnaphthalene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(CCC)c1cccc2ccccc12
InChIInChI=1S/C38H64/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-35(29-4-2)38-34-28-32-36-31-26-27-33-37(36)38/h26-28,31-35H,3-25,29-30H2,1-2H3
InChIKeyOGYKBMPVHPBHIR-UHFFFAOYSA-N
XLogP13.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.93
LogP ≤ 513.72
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-hexadecan-6-ylnaphthalene
CID 14029925
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
1,2,3-tri(nonan-4-yl)benzene
CID 57102647
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
CID 173360990
CID 173360990
1-dodec-9-en-5-ylnaphthalene
CID 173291784
1-heptadecan-9-yl-9H-carbazole
CID 132513625

Frequently Asked Questions

What is the IUPAC name of 1-octacosan-4-ylnaphthalene?
The IUPAC name of 1-octacosan-4-ylnaphthalene (CID 54149804) is 1-octacosan-4-ylnaphthalene.
What is the SMILES notation for 1-octacosan-4-ylnaphthalene?
The canonical SMILES for 1-octacosan-4-ylnaphthalene is CCCCCCCCCCCCCCCCCCCCCCCCC(CCC)c1cccc2ccccc12.
What is the InChIKey of 1-octacosan-4-ylnaphthalene?
The InChIKey is OGYKBMPVHPBHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H64/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-35(29-4-2)38-34-28-32-36-31-26-27-33-37(36)38/h26-28,31-35H,3-25,29-30H2,1-2H3.
What are the key properties of 1-octacosan-4-ylnaphthalene?
1-octacosan-4-ylnaphthalene has a molecular weight of 520.93 g/mol, XLogP of 13.72, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octacosan-4-ylnaphthalene is sourced from PubChem (CID 54149804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).