undeca-4,9-dienal

C11H18O — CID 72565371

IUPACundeca-4,9-dienal
SMILESCC=CCCCC=CCCC=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyQVTDFJWDLVEPCR-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds7

About undeca-4,9-dienal

undeca-4,9-dienal (PubChem CID 72565371) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is undeca-4,9-dienal.

Molecular Properties

Compound Nameundeca-4,9-dienal
PubChem CID72565371
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameundeca-4,9-dienal
SMILESCC=CCCCC=CCCC=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,7-8,11H,4-6,9-10H2,1H3
InChIKeyQVTDFJWDLVEPCR-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
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

(Z)-hept-5-enal
CID 12625719
(E)-tetradec-12-enal
CID 5353009
tetradeca-4,9-dienal
CID 73196319
(E)-oct-4-enedial
CID 5283333
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(E)-dodec-7-enal;(Z)-dodec-2-ene
CID 174913601
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785
(2E,7E)-dodeca-2,7-diene
CID 173295735
(2Z,7Z)-deca-2,7-diene
CID 6429619

Frequently Asked Questions

What is the IUPAC name of undeca-4,9-dienal?
The IUPAC name of undeca-4,9-dienal (CID 72565371) is undeca-4,9-dienal.
What is the SMILES notation for undeca-4,9-dienal?
The canonical SMILES for undeca-4,9-dienal is CC=CCCCC=CCCC=O.
What is the InChIKey of undeca-4,9-dienal?
The InChIKey is QVTDFJWDLVEPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,7-8,11H,4-6,9-10H2,1H3.
What are the key properties of undeca-4,9-dienal?
undeca-4,9-dienal has a molecular weight of 166.26 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-4,9-dienal is sourced from PubChem (CID 72565371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).