(Z)-dodec-4-enal

C12H22O — CID 6430180

IUPAC(Z)-dodec-4-enal
SMILESCCCCCCC/C=C\CCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8-
InChIKeyMMCDSVCBSAMNPL-HJWRWDBZSA-N
MW182.31 g/mol
LogP3.88
Rot. Bonds9

About (Z)-dodec-4-enal

(Z)-dodec-4-enal (PubChem CID 6430180) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-dodec-4-enal.

Molecular Properties

Compound Name(Z)-dodec-4-enal
PubChem CID6430180
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(Z)-dodec-4-enal
SMILESCCCCCCC/C=C\CCC=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8-
InChIKeyMMCDSVCBSAMNPL-HJWRWDBZSA-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

2-Nonenal
CID 5283335
(2E)-Decenal
CID 5283345
9-Octadecenal
CID 5283381
4-Decenal, (4Z)-
CID 5362620
(Z)-non-2-enal
CID 5354833
(E)-2-Undecenal
CID 5283356
9-Octadecenal, (9Z)-
CID 5364492
4-Decenal
CID 61875
Non-2-enal
CID 17166
2-Dodecenal
CID 5283361
2-Tridecenal
CID 5283363
(E)-2-Tetradecenal
CID 5283366

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-4-enal?
The IUPAC name of (Z)-dodec-4-enal (CID 6430180) is (Z)-dodec-4-enal.
What is the SMILES notation for (Z)-dodec-4-enal?
The canonical SMILES for (Z)-dodec-4-enal is CCCCCCC/C=C\CCC=O.
What is the InChIKey of (Z)-dodec-4-enal?
The InChIKey is MMCDSVCBSAMNPL-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9,12H,2-7,10-11H2,1H3/b9-8-.
What are the key properties of (Z)-dodec-4-enal?
(Z)-dodec-4-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-4-enal is sourced from PubChem (CID 6430180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).