1-tetracosan-9-ylnaphthalene

C34H56 — CID 175897855

IUPAC1-tetracosan-9-ylnaphthalene
SMILESCCCCCCCCCCCCCCCC(CCCCCCCC)c1cccc2ccccc12
InChIInChI=1S/C34H56/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26-31(25-20-18-10-8-6-4-2)34-30-24-28-32-27-22-23-29-33(32)34/h22-24,27-31H,3-21,25-26H2,1-2H3
InChIKeyCUGWQZQXKRDUGE-UHFFFAOYSA-N
MW464.82 g/mol
LogP12.16
Rot. Bonds22

About 1-tetracosan-9-ylnaphthalene

1-tetracosan-9-ylnaphthalene (PubChem CID 175897855) has the molecular formula C34H56 and a molecular weight of 464.82 g/mol. Its IUPAC name is 1-tetracosan-9-ylnaphthalene.

Molecular Properties

Compound Name1-tetracosan-9-ylnaphthalene
PubChem CID175897855
Molecular FormulaC34H56
Molecular Weight464.82 g/mol
Exact Mass464.44
IUPAC Name1-tetracosan-9-ylnaphthalene
SMILESCCCCCCCCCCCCCCCC(CCCCCCCC)c1cccc2ccccc12
InChIInChI=1S/C34H56/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26-31(25-20-18-10-8-6-4-2)34-30-24-28-32-27-22-23-29-33(32)34/h22-24,27-31H,3-21,25-26H2,1-2H3
InChIKeyCUGWQZQXKRDUGE-UHFFFAOYSA-N
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 512.16
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-hexadecan-6-ylnaphthalene
CID 14029925
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-tetracosan-9-ylnaphthalene?
The IUPAC name of 1-tetracosan-9-ylnaphthalene (CID 175897855) is 1-tetracosan-9-ylnaphthalene.
What is the SMILES notation for 1-tetracosan-9-ylnaphthalene?
The canonical SMILES for 1-tetracosan-9-ylnaphthalene is CCCCCCCCCCCCCCCC(CCCCCCCC)c1cccc2ccccc12.
What is the InChIKey of 1-tetracosan-9-ylnaphthalene?
The InChIKey is CUGWQZQXKRDUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26-31(25-20-18-10-8-6-4-2)34-30-24-28-32-27-22-23-29-33(32)34/h22-24,27-31H,3-21,25-26H2,1-2H3.
What are the key properties of 1-tetracosan-9-ylnaphthalene?
1-tetracosan-9-ylnaphthalene has a molecular weight of 464.82 g/mol, XLogP of 12.16, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracosan-9-ylnaphthalene is sourced from PubChem (CID 175897855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).