dodec-2-enedial

C12H20O2 — CID 54372755

IUPACdodec-2-enedial
SMILESO=CC=CCCCCCCCCC=O
InChIInChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11-12H,1-6,8,10H2
InChIKeyUUJHUJAJUJUDGC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.06
Rot. Bonds10

About dodec-2-enedial

dodec-2-enedial (PubChem CID 54372755) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is dodec-2-enedial.

Molecular Properties

Compound Namedodec-2-enedial
PubChem CID54372755
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namedodec-2-enedial
SMILESO=CC=CCCCCCCCCC=O
InChIInChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11-12H,1-6,8,10H2
InChIKeyUUJHUJAJUJUDGC-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.06
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)-hept-2-enedial
CID 5283323
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
triaconta-9,17,19-trienedial
CID 54176799
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
dodeca-9,11-dienal
CID 543135
(2E)-tetradeca-2,13-dienal
CID 87269754
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
pentadecanedial
CID 22887412
(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730

Frequently Asked Questions

What is the IUPAC name of dodec-2-enedial?
The IUPAC name of dodec-2-enedial (CID 54372755) is dodec-2-enedial.
What is the SMILES notation for dodec-2-enedial?
The canonical SMILES for dodec-2-enedial is O=CC=CCCCCCCCCC=O.
What is the InChIKey of dodec-2-enedial?
The InChIKey is UUJHUJAJUJUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7,9,11-12H,1-6,8,10H2.
What are the key properties of dodec-2-enedial?
dodec-2-enedial has a molecular weight of 196.29 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-enedial is sourced from PubChem (CID 54372755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).