(E)-dodec-5-enal

C12H22O — CID 5362688

IUPAC(E)-dodec-5-enal
SMILESCCCCCC/C=C/CCCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+
InChIKeyMXYKXSMSECVABY-BQYQJAHWSA-N
MW182.31 g/mol
LogP3.88
Rot. Bonds9

About (E)-dodec-5-enal

(E)-dodec-5-enal (PubChem CID 5362688) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-dodec-5-enal.

Molecular Properties

Compound Name(E)-dodec-5-enal
PubChem CID5362688
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(E)-dodec-5-enal
SMILESCCCCCC/C=C/CCCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+
InChIKeyMXYKXSMSECVABY-BQYQJAHWSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-dodec-5-enal?
The IUPAC name of (E)-dodec-5-enal (CID 5362688) is (E)-dodec-5-enal.
What is the SMILES notation for (E)-dodec-5-enal?
The canonical SMILES for (E)-dodec-5-enal is CCCCCC/C=C/CCCC=O.
What is the InChIKey of (E)-dodec-5-enal?
The InChIKey is MXYKXSMSECVABY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+.
What are the key properties of (E)-dodec-5-enal?
(E)-dodec-5-enal has a molecular weight of 182.31 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-5-enal is sourced from PubChem (CID 5362688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).