2-[(E)-dodec-5-enyl]naphthalene

C22H30 — CID 101304407

IUPAC2-[(E)-dodec-5-enyl]naphthalene
SMILESCCCCCC/C=C/CCCCc1ccc2ccccc2c1
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/h7-8,12-13,15-19H,2-6,9-11,14H2,1H3/b8-7+
InChIKeyRHBUPFJUGXVZNO-BQYQJAHWSA-N
MW294.48 g/mol
LogP7.08
Rot. Bonds10

About 2-[(E)-dodec-5-enyl]naphthalene

2-[(E)-dodec-5-enyl]naphthalene (PubChem CID 101304407) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(E)-dodec-5-enyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-dodec-5-enyl]naphthalene
PubChem CID101304407
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-[(E)-dodec-5-enyl]naphthalene
SMILESCCCCCC/C=C/CCCCc1ccc2ccccc2c1
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/h7-8,12-13,15-19H,2-6,9-11,14H2,1H3/b8-7+
InChIKeyRHBUPFJUGXVZNO-BQYQJAHWSA-N
XLogP7.08
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 ≤ 57.08
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dodec-5-enyl]naphthalene?
The IUPAC name of 2-[(E)-dodec-5-enyl]naphthalene (CID 101304407) is 2-[(E)-dodec-5-enyl]naphthalene.
What is the SMILES notation for 2-[(E)-dodec-5-enyl]naphthalene?
The canonical SMILES for 2-[(E)-dodec-5-enyl]naphthalene is CCCCCC/C=C/CCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-dodec-5-enyl]naphthalene?
The InChIKey is RHBUPFJUGXVZNO-BQYQJAHWSA-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/h7-8,12-13,15-19H,2-6,9-11,14H2,1H3/b8-7+.
What are the key properties of 2-[(E)-dodec-5-enyl]naphthalene?
2-[(E)-dodec-5-enyl]naphthalene has a molecular weight of 294.48 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dodec-5-enyl]naphthalene is sourced from PubChem (CID 101304407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).