2-[(E)-dodec-1-enyl]naphthalene

C22H30 — CID 101304399

IUPAC2-[(E)-dodec-1-enyl]naphthalene
SMILESCCCCCCCCCC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h11-19H,2-10H2,1H3/b14-11+
InChIKeyMNBYPZNRZCUAIO-SDNWHVSQSA-N
MW294.48 g/mol
LogP7.38
Rot. Bonds10

About 2-[(E)-dodec-1-enyl]naphthalene

2-[(E)-dodec-1-enyl]naphthalene (PubChem CID 101304399) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(E)-dodec-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-dodec-1-enyl]naphthalene
PubChem CID101304399
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-[(E)-dodec-1-enyl]naphthalene
SMILESCCCCCCCCCC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h11-19H,2-10H2,1H3/b14-11+
InChIKeyMNBYPZNRZCUAIO-SDNWHVSQSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-1-enyl]naphthalene?
The IUPAC name of 2-[(E)-dodec-1-enyl]naphthalene (CID 101304399) is 2-[(E)-dodec-1-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-dodec-1-enyl]naphthalene?
The canonical SMILES for 2-[(E)-dodec-1-enyl]naphthalene is CCCCCCCCCC/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-dodec-1-enyl]naphthalene?
The InChIKey is MNBYPZNRZCUAIO-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h11-19H,2-10H2,1H3/b14-11+.
What are the key properties of 2-[(E)-dodec-1-enyl]naphthalene?
2-[(E)-dodec-1-enyl]naphthalene has a molecular weight of 294.48 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-1-enyl]naphthalene is sourced from PubChem (CID 101304399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).