1-decan-5-ylnaphthalene

C20H28 — CID 14029915

IUPAC1-decan-5-ylnaphthalene
SMILESCCCCCC(CCCC)c1cccc2ccccc12
InChIInChI=1S/C20H28/c1-3-5-7-12-17(11-6-4-2)20-16-10-14-18-13-8-9-15-19(18)20/h8-10,13-17H,3-7,11-12H2,1-2H3
InChIKeyYDFINSHXAYMEGR-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.69
Rot. Bonds8

About 1-decan-5-ylnaphthalene

1-decan-5-ylnaphthalene (PubChem CID 14029915) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-decan-5-ylnaphthalene.

Molecular Properties

Compound Name1-decan-5-ylnaphthalene
PubChem CID14029915
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-decan-5-ylnaphthalene
SMILESCCCCCC(CCCC)c1cccc2ccccc12
InChIInChI=1S/C20H28/c1-3-5-7-12-17(11-6-4-2)20-16-10-14-18-13-8-9-15-19(18)20/h8-10,13-17H,3-7,11-12H2,1-2H3
InChIKeyYDFINSHXAYMEGR-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.69
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-octacosan-4-ylnaphthalene
CID 54149804
3-naphthalen-1-ylheptan-1-amine
CID 142028314
2-naphthalen-1-ylhexan-1-ol
CID 57029231
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
1-tridecan-7-ylanthracene
CID 150514951
1-dodec-9-en-5-ylnaphthalene
CID 173291784
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
CID 175558320
1-heptadecan-9-yl-9H-carbazole
CID 132513625

Frequently Asked Questions

What is the IUPAC name of 1-decan-5-ylnaphthalene?
The IUPAC name of 1-decan-5-ylnaphthalene (CID 14029915) is 1-decan-5-ylnaphthalene.
What is the SMILES notation for 1-decan-5-ylnaphthalene?
The canonical SMILES for 1-decan-5-ylnaphthalene is CCCCCC(CCCC)c1cccc2ccccc12.
What is the InChIKey of 1-decan-5-ylnaphthalene?
The InChIKey is YDFINSHXAYMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-3-5-7-12-17(11-6-4-2)20-16-10-14-18-13-8-9-15-19(18)20/h8-10,13-17H,3-7,11-12H2,1-2H3.
What are the key properties of 1-decan-5-ylnaphthalene?
1-decan-5-ylnaphthalene has a molecular weight of 268.44 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decan-5-ylnaphthalene is sourced from PubChem (CID 14029915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).