(Z)-dodec-9-enal

C12H22O — CID 6430189

IUPAC(Z)-dodec-9-enal
SMILESCC/C=C\CCCCCCCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,12H,2,5-11H2,1H3/b4-3-
InChIKeyQGUDMPDYXLMJNK-ARJAWSKDSA-N
MW182.31 g/mol
LogP3.88
Rot. Bonds9

About (Z)-dodec-9-enal

(Z)-dodec-9-enal (PubChem CID 6430189) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-dodec-9-enal.

Molecular Properties

Compound Name(Z)-dodec-9-enal
PubChem CID6430189
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(Z)-dodec-9-enal
SMILESCC/C=C\CCCCCCCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,12H,2,5-11H2,1H3/b4-3-
InChIKeyQGUDMPDYXLMJNK-ARJAWSKDSA-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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Related Compounds

9-Octadecenal
CID 5283381
4-Decenal, (4Z)-
CID 5362620
10-Undecenal
CID 8187
9-Octadecenal, (9Z)-
CID 5364492
4-Decenal
CID 61875
11-Hexadecenal, (11Z)-
CID 5364495
9-Decenal
CID 162392
cis-6-Nonenal
CID 5362720
(Z)-9-Hexadecenal
CID 5364643
13-Octadecenal, (13Z)-
CID 5364497
7-Tetradecenal, (7Z)-
CID 5364468
16-Octadecenal
CID 5367668

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-9-enal?
The IUPAC name of (Z)-dodec-9-enal (CID 6430189) is (Z)-dodec-9-enal.
What is the SMILES notation for (Z)-dodec-9-enal?
The canonical SMILES for (Z)-dodec-9-enal is CC/C=C\CCCCCCCC=O.
What is the InChIKey of (Z)-dodec-9-enal?
The InChIKey is QGUDMPDYXLMJNK-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,12H,2,5-11H2,1H3/b4-3-.
What are the key properties of (Z)-dodec-9-enal?
(Z)-dodec-9-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 (Z)-dodec-9-enal is sourced from PubChem (CID 6430189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).