(4E,6E)-undeca-4,6-dienal

C11H18O — CID 14250377

IUPAC(4E,6E)-undeca-4,6-dienal
SMILESCCCC/C=C/C=C/CCC=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-8,11H,2-4,9-10H2,1H3/b6-5+,8-7+
InChIKeyRPLCHVGVUPGNRY-BSWSSELBSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds7

About (4E,6E)-undeca-4,6-dienal

(4E,6E)-undeca-4,6-dienal (PubChem CID 14250377) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4E,6E)-undeca-4,6-dienal.

Molecular Properties

Compound Name(4E,6E)-undeca-4,6-dienal
PubChem CID14250377
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4E,6E)-undeca-4,6-dienal
SMILESCCCC/C=C/C=C/CCC=O
InChIInChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-8,11H,2-4,9-10H2,1H3/b6-5+,8-7+
InChIKeyRPLCHVGVUPGNRY-BSWSSELBSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-Decadienal
CID 5283349
4-Decenal, (4Z)-
CID 5362620
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
4-Decenal
CID 61875
alpha-Sinensal
CID 5281534
cis-6-Nonenal
CID 5362720
4-Heptenal, (4Z)-
CID 5362814
Nona-2,4-dienal
CID 23203
2,4-Nonadienal
CID 5283339
trans-4-Hexenal
CID 5283308
(E)-4-Undecenal
CID 5283357
2,4,7-Tridecatrienal, (2E,4Z,7Z)-
CID 6421281

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-undeca-4,6-dienal?
The IUPAC name of (4E,6E)-undeca-4,6-dienal (CID 14250377) is (4E,6E)-undeca-4,6-dienal.
What is the SMILES notation for (4E,6E)-undeca-4,6-dienal?
The canonical SMILES for (4E,6E)-undeca-4,6-dienal is CCCC/C=C/C=C/CCC=O.
What is the InChIKey of (4E,6E)-undeca-4,6-dienal?
The InChIKey is RPLCHVGVUPGNRY-BSWSSELBSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h5-8,11H,2-4,9-10H2,1H3/b6-5+,8-7+.
What are the key properties of (4E,6E)-undeca-4,6-dienal?
(4E,6E)-undeca-4,6-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 (4E,6E)-undeca-4,6-dienal is sourced from PubChem (CID 14250377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).