dodec-2-enal;(E)-hex-2-enal

C18H32O2 — CID 159709120

IUPACdodec-2-enal;(E)-hex-2-enal
SMILESCCC/C=C/C=O.CCCCCCCCCC=CC=O
InChIInChI=1S/C12H22O.C6H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h10-12H,2-9H2,1H3;4-6H,2-3H2,1H3/b;5-4+
InChIKeyMYPHZJLDWIVMGV-RCKHEGBHSA-N
MW280.45 g/mol
LogP5.42
Rot. Bonds12

About dodec-2-enal;(E)-hex-2-enal

dodec-2-enal;(E)-hex-2-enal (PubChem CID 159709120) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is dodec-2-enal;(E)-hex-2-enal.

Molecular Properties

Compound Namedodec-2-enal;(E)-hex-2-enal
PubChem CID159709120
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Namedodec-2-enal;(E)-hex-2-enal
SMILESCCC/C=C/C=O.CCCCCCCCCC=CC=O
InChIInChI=1S/C12H22O.C6H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h10-12H,2-9H2,1H3;4-6H,2-3H2,1H3/b;5-4+
InChIKeyMYPHZJLDWIVMGV-RCKHEGBHSA-N
XLogP5.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
pentadeca-2,7-dienal
CID 140791013
icosa-2,4,6-trienal
CID 54359003
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(6E)-octadeca-4,6-diene
CID 173243345
(E)-hex-2-enal
CID 158800846
(2Z)-deca-2,4-dienal
CID 87792972
(22E)-heptatetraconta-22,24-diene
CID 56629131
(Z)-tridec-4-ene
CID 5362712

Frequently Asked Questions

What is the IUPAC name of dodec-2-enal;(E)-hex-2-enal?
The IUPAC name of dodec-2-enal;(E)-hex-2-enal (CID 159709120) is dodec-2-enal;(E)-hex-2-enal.
What is the SMILES notation for dodec-2-enal;(E)-hex-2-enal?
The canonical SMILES for dodec-2-enal;(E)-hex-2-enal is CCC/C=C/C=O.CCCCCCCCCC=CC=O.
What is the InChIKey of dodec-2-enal;(E)-hex-2-enal?
The InChIKey is MYPHZJLDWIVMGV-RCKHEGBHSA-N. The full InChI is InChI=1S/C12H22O.C6H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7/h10-12H,2-9H2,1H3;4-6H,2-3H2,1H3/b;5-4+.
What are the key properties of dodec-2-enal;(E)-hex-2-enal?
dodec-2-enal;(E)-hex-2-enal has a molecular weight of 280.45 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-enal;(E)-hex-2-enal is sourced from PubChem (CID 159709120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).