1-dodec-9-en-5-ylnaphthalene

C22H30 — CID 173291784

IUPAC1-dodec-9-en-5-ylnaphthalene
SMILESCCC=CCCCC(CCCC)c1cccc2ccccc12
InChIInChI=1S/C22H30/c1-3-5-7-8-9-14-19(13-6-4-2)22-18-12-16-20-15-10-11-17-21(20)22/h5,7,10-12,15-19H,3-4,6,8-9,13-14H2,1-2H3
InChIKeyAOXLFSBPCHZDDT-UHFFFAOYSA-N
MW294.48 g/mol
LogP7.25
Rot. Bonds9

About 1-dodec-9-en-5-ylnaphthalene

1-dodec-9-en-5-ylnaphthalene (PubChem CID 173291784) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-dodec-9-en-5-ylnaphthalene.

Molecular Properties

Compound Name1-dodec-9-en-5-ylnaphthalene
PubChem CID173291784
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-dodec-9-en-5-ylnaphthalene
SMILESCCC=CCCCC(CCCC)c1cccc2ccccc12
InChIInChI=1S/C22H30/c1-3-5-7-8-9-14-19(13-6-4-2)22-18-12-16-20-15-10-11-17-21(20)22/h5,7,10-12,15-19H,3-4,6,8-9,13-14H2,1-2H3
InChIKeyAOXLFSBPCHZDDT-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-decan-5-ylnaphthalene
CID 14029915
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
3-naphthalen-1-ylheptan-1-amine
CID 142028314
1-octacosan-4-ylnaphthalene
CID 54149804
2-naphthalen-1-ylhexan-1-ol
CID 57029231
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
1-tridecan-7-ylanthracene
CID 150514951
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-[(E)-tetradec-11-enyl]naphthalene
CID 101307515
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
CID 175558320

Frequently Asked Questions

What is the IUPAC name of 1-dodec-9-en-5-ylnaphthalene?
The IUPAC name of 1-dodec-9-en-5-ylnaphthalene (CID 173291784) is 1-dodec-9-en-5-ylnaphthalene.
What is the SMILES notation for 1-dodec-9-en-5-ylnaphthalene?
The canonical SMILES for 1-dodec-9-en-5-ylnaphthalene is CCC=CCCCC(CCCC)c1cccc2ccccc12.
What is the InChIKey of 1-dodec-9-en-5-ylnaphthalene?
The InChIKey is AOXLFSBPCHZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-3-5-7-8-9-14-19(13-6-4-2)22-18-12-16-20-15-10-11-17-21(20)22/h5,7,10-12,15-19H,3-4,6,8-9,13-14H2,1-2H3.
What are the key properties of 1-dodec-9-en-5-ylnaphthalene?
1-dodec-9-en-5-ylnaphthalene has a molecular weight of 294.48 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodec-9-en-5-ylnaphthalene is sourced from PubChem (CID 173291784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).